VOC Mixture 686 5-10 µg/mL in Methanol
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- structure.search.product.name VOC Mixture 686 5-10 µg/mL in Methanol
- Product Code: DRE-S50000686ME
- Brand: Dr. Ehrenstorfer
Product Overview
Product Code
DRE-S50000686ME
CAS Number
57 AnalytesProduct Format
Mixture
Solvent
Methanol
Lot Number
2-H488327ME
Expiry
2027-09-15
Product Categories
Volatile Organic Compound Research and Reference Materials , Dr. Ehrenstorfer
Product Type
Native/ParentDocumentation
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Product Information
Analyte Data
Analyte Name
Measured Value
CAS Number
Molecular Structure
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1,1,2-Trichloro-1,2,2-trifluoroethane
10.0 μg/mL
1,2,3,5-Tetramethylbenzene (Isodurene)
10.0 μg/mL
Dichloromethane (Methylenechloride)
10.0 μg/mL
Fluorotrichloromethane (Trichlorofluoromethane)
10.0 μg/mL
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CAS Number
Alternate CAS Number
Unlabelled CAS Number
Molecular Formula
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Molecular Weight
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Accurate Mass
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Melting Point
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Appearance/Form
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SMILES
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InChI
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IUPAC
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1,1,1,2-Tetrachloroethane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H2 Cl4
Molecular Weight
167.85
Accurate Mass
165.8911
SMILES
ClCC(Cl)(Cl)Cl
InChI
InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2
IUPAC
1,1,1,2-tetrachloroethane
1,1,1-Trichloroethane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H3 Cl3
Molecular Weight
133.40
Accurate Mass
131.93
SMILES
CC(Cl)(Cl)Cl
InChI
InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3
IUPAC
1,1,1-trichloroethane
1,1,2,2-Tetrachloroethane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H2 Cl4
Molecular Weight
167.85
Accurate Mass
165.8911
SMILES
ClC(Cl)C(Cl)Cl
InChI
InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H
IUPAC
1,1,2,2-tetrachloroethane
1,1,2-Trichloro-1,2,2-trifluoroethane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 Cl3 F3
Molecular Weight
187.38
Accurate Mass
185.9018
SMILES
FC(F)(Cl)C(F)(Cl)Cl
InChI
InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8
IUPAC
1,1,2-trichloro-1,2,2-trifluoroethane
1,1,2-Trichloroethane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H3 Cl3
Molecular Weight
133.40
Accurate Mass
131.93
SMILES
ClCC(Cl)Cl
InChI
InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2
IUPAC
1,1,2-trichloroethane
1,1-Dichloroethane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H4 Cl2
Molecular Weight
98.96
Accurate Mass
97.969
SMILES
CC(Cl)Cl
InChI
InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3
IUPAC
1,1-dichloroethane
1,1-Dichloroethene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H2 Cl2
Molecular Weight
96.94
Accurate Mass
95.9534
SMILES
ClC(=C)Cl
InChI
InChI=1S/C2H2Cl2/c1-2(3)4/h1H2
IUPAC
1,1-dichloroethene
1,2,3,4-Tetramethylbenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H14
Molecular Weight
134.22
Accurate Mass
134.1096
SMILES
Cc1ccc(C)c(C)c1C
InChI
InChI=1S/C10H14/c1-7-5-6-8(2)10(4)9(7)3/h5-6H,1-4H3
IUPAC
1,2,3,4-tetramethylbenzene
1,2,3,5-Tetramethylbenzene (Isodurene)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H14
Molecular Weight
134.218
Accurate Mass
134.11
SMILES
Cc1cc(C)c(C)c(C)c1
InChI
InChI=1S/C10H14/c1-7-5-8(2)10(4)9(3)6-7/h5-6H,1-4H3
IUPAC
1,2,3,5-tetramethylbenzene
1,2,3-Trimethylbenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H12
Molecular Weight
120.19
Accurate Mass
120.0939
SMILES
Cc1cccc(C)c1C
InChI
InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3
IUPAC
1,2,3-trimethylbenzene
1,2,4,5-Tetramethylbenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H14
Molecular Weight
134.22
Accurate Mass
134.1096
SMILES
Cc1cc(C)c(C)cc1C
InChI
InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3
IUPAC
1,2,4,5-tetramethylbenzene
1,2,4-Trimethylbenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H12
Molecular Weight
120.19
Accurate Mass
120.0939
SMILES
Cc1ccc(C)c(C)c1
InChI
InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3
IUPAC
1,2,4-trimethylbenzene
1,2-Dibromoethane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H4 Br2
Molecular Weight
187.86
Accurate Mass
185.868
SMILES
BrCCBr
InChI
InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2
IUPAC
1,2-dibromoethane
1,2-Dichlorobenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H4 Cl2
Molecular Weight
147.00
Accurate Mass
145.969
SMILES
Clc1ccccc1Cl
InChI
InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H
IUPAC
1,2-dichlorobenzene
1,2-Dichloroethane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H4 Cl2
Molecular Weight
98.96
Accurate Mass
97.969
SMILES
ClCCCl
InChI
InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2
IUPAC
1,2-dichloroethane
1,2-Diethylbenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H14
Molecular Weight
134.22
Accurate Mass
134.1096
SMILES
CCc1ccccc1CC
InChI
InChI=1S/C10H14/c1-3-9-7-5-6-8-10(9)4-2/h5-8H,3-4H2,1-2H3
IUPAC
1,2-diethylbenzene
1,3,5-Trimethylbenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H12
Molecular Weight
120.19
Accurate Mass
120.0939
SMILES
Cc1cc(C)cc(C)c1
InChI
InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3
IUPAC
1,3,5-trimethylbenzene
1,3-Dichlorobenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H4 Cl2
Molecular Weight
147.00
Accurate Mass
145.969
SMILES
Clc1cccc(Cl)c1
InChI
InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H
IUPAC
1,3-dichlorobenzene
1,3-Diethylbenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H14
Molecular Weight
134.22
Accurate Mass
134.1096
SMILES
CCc1cccc(CC)c1
InChI
InChI=1S/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3
IUPAC
1,3-diethylbenzene
1,4-Dichlorobenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H4 Cl2
Molecular Weight
147.00
Accurate Mass
145.969
SMILES
Clc1ccc(Cl)cc1
InChI
InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H
IUPAC
1,4-dichlorobenzene
1,4-Diethylbenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H14
Molecular Weight
134.22
Accurate Mass
134.1096
SMILES
CCc1ccc(CC)cc1
InChI
InChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3
IUPAC
1,4-diethylbenzene
2-Ethyltoluene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H12
Molecular Weight
120.19
Accurate Mass
120.0939
SMILES
CCc1ccccc1C
InChI
InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
IUPAC
1-ethyl-2-methylbenzene
3-Ethyltoluene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H12
Molecular Weight
120.192
Accurate Mass
120.094
SMILES
CCc1cccc(C)c1
InChI
InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
IUPAC
1-ethyl-3-methylbenzene
4-Ethyltoluene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H12
Molecular Weight
120.19
Accurate Mass
120.0939
SMILES
CCc1ccc(C)cc1
InChI
InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
IUPAC
1-ethyl-4-methylbenzene
Benzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H6
Molecular Weight
78.11
Accurate Mass
78.047
SMILES
c1ccccc1
InChI
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
IUPAC
benzene
Bromodichloromethane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C H Br Cl2
Molecular Weight
163.83
Accurate Mass
161.8639
SMILES
ClC(Cl)Br
InChI
InChI=1S/CHBrCl2/c2-1(3)4/h1H
IUPAC
bromo(dichloro)methane
Chlorobenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H5 Cl
Molecular Weight
112.56
Accurate Mass
112.008
SMILES
Clc1ccccc1
InChI
InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
IUPAC
chlorobenzene
Chlorodifluoromethane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C H Cl F2
Molecular Weight
86.47
Accurate Mass
85.9735
SMILES
FC(F)Cl
InChI
InChI=1S/CHClF2/c2-1(3)4/h1H
IUPAC
chloro(difluoro)methane
Chloroethane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H5 Cl
Molecular Weight
64.51
Accurate Mass
64.008
SMILES
CCCl
InChI
InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3
IUPAC
chloroethane
Chloroform
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C H Cl3
Molecular Weight
119.38
Accurate Mass
117.9144
SMILES
ClC(Cl)Cl
InChI
InChI=1S/CHCl3/c2-1(3)4/h1H
IUPAC
chloroform
Chloromethane (Methylchloride)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C H3 Cl
Molecular Weight
50.49
Accurate Mass
49.9923
SMILES
CCl
InChI
InChI=1S/CH3Cl/c1-2/h1H3
IUPAC
chloromethane
cis-1,2-Dichloroethene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H2 Cl2
Molecular Weight
96.94
Accurate Mass
95.9534
SMILES
Cl\C=C/Cl
InChI
InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-
IUPAC
(Z)-1,2-dichloroethene
Dibromochloromethane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C H Br2 Cl
Molecular Weight
208.28
Accurate Mass
205.8134
SMILES
ClC(Br)Br
InChI
InChI=1S/CHBr2Cl/c2-1(3)4/h1H
IUPAC
dibromo(chloro)methane
Dichlorodifluoromethane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C Cl2 F2
Molecular Weight
120.91
Accurate Mass
119.9345
SMILES
FC(F)(Cl)Cl
InChI
InChI=1S/CCl2F2/c2-1(3,4)5
IUPAC
dichloro(difluoro)methane
Dichlorofluoromethane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C H Cl2 F
Molecular Weight
102.92
Accurate Mass
101.9439
SMILES
FC(Cl)Cl
InChI
InChI=1S/CHCl2F/c2-1(3)4/h1H
IUPAC
dichloro(fluoro)methane
Dichloromethane (Methylenechloride)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C H2 Cl2
Molecular Weight
84.93
Accurate Mass
83.9534
SMILES
ClCCl
InChI
InChI=1S/CH2Cl2/c2-1-3/h1H2
IUPAC
dichloromethane
Diisopropyl ether
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H14 O
Molecular Weight
102.17
Accurate Mass
102.1045
SMILES
CC(C)OC(C)C
InChI
InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3
IUPAC
2-propan-2-yloxypropane
Ethyl tert-Butyl Ether (ETBE)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H14 O
Molecular Weight
102.17
Accurate Mass
102.1045
SMILES
CCOC(C)(C)C
InChI
InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3
IUPAC
2-ethoxy-2-methylpropane
Ethylbenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10
Molecular Weight
106.16
Accurate Mass
106.0783
SMILES
CCc1ccccc1
InChI
InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
IUPAC
ethylbenzene
Fluorotrichloromethane (Trichlorofluoromethane)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C Cl3 F
Molecular Weight
137.37
Accurate Mass
135.905
SMILES
FC(Cl)(Cl)Cl
InChI
InChI=1S/CCl3F/c2-1(3,4)5
IUPAC
trichloro(fluoro)methane
Indan
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H10
Molecular Weight
118.176
Accurate Mass
118.078
SMILES
C1Cc2ccccc2C1
InChI
InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2
IUPAC
2,3-dihydro-1H-indene
Isopropylbenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H12
Molecular Weight
120.19
Accurate Mass
120.0939
SMILES
CC(C)c1ccccc1
InChI
InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3
IUPAC
cumene
m-Xylene (1,3-Dimethylbenzene)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10
Molecular Weight
106.16
Accurate Mass
106.0783
SMILES
Cc1cccc(C)c1
InChI
InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
IUPAC
1,3-xylene
Methyl tert-butyl ether
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H12 O
Molecular Weight
88.15
Accurate Mass
88.0888
SMILES
COC(C)(C)C
InChI
InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3
IUPAC
2-methoxy-2-methylpropane
Naphthalene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H8
Molecular Weight
128.17
Accurate Mass
128.0626
SMILES
c1ccc2ccccc2c1
InChI
InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
IUPAC
naphthalene
o-Xylene (1,2-Dimethylbenzene)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8H10
Molecular Weight
106.16
Accurate Mass
106.08
SMILES
Cc1ccccc1C
InChI
InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
IUPAC
1,2-xylene
p-Xylene (1,4-Dimethylbenzene)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10
Molecular Weight
106.16
Accurate Mass
106.0783
SMILES
Cc1ccc(C)cc1
InChI
InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
IUPAC
1,4-xylene
Propylbenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H12
Molecular Weight
120.19
Accurate Mass
120.0939
SMILES
CCCc1ccccc1
InChI
InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
IUPAC
propylbenzene
Styrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H8
Molecular Weight
104.15
Accurate Mass
104.0626
SMILES
C=Cc1ccccc1
InChI
InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
IUPAC
styrene
tert-Amyl Methyl Ether (TAME)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H14 O
Molecular Weight
102.17
Accurate Mass
102.1045
SMILES
CCC(C)(C)OC
InChI
InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3
IUPAC
2-methoxy-2-methylbutane
Tetrachloroethene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 Cl4
Molecular Weight
165.83
Accurate Mass
163.8754
SMILES
ClC(=C(Cl)Cl)Cl
InChI
InChI=1S/C2Cl4/c3-1(4)2(5)6
IUPAC
1,1,2,2-tetrachloroethene
Tetrachloromethane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C Cl4
Molecular Weight
153.82
Accurate Mass
151.8754
SMILES
ClC(Cl)(Cl)Cl
InChI
InChI=1S/CCl4/c2-1(3,4)5
IUPAC
tetrachloromethane
Toluene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H8
Molecular Weight
92.14
Accurate Mass
92.0626
SMILES
Cc1ccccc1
InChI
InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
IUPAC
toluene
trans-1,2-Dichloroethene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H2 Cl2
Molecular Weight
96.94
Accurate Mass
95.9534
SMILES
Cl\C=C\Cl
InChI
InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+
IUPAC
(E)-1,2-dichloroethene
Tribromomethane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C H Br3
Molecular Weight
252.73
Accurate Mass
249.7628
SMILES
BrC(Br)Br
InChI
InChI=1S/CHBr3/c2-1(3)4/h1H
IUPAC
bromoform
Trichloroethene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H Cl3
Molecular Weight
131.39
Accurate Mass
129.9144
SMILES
ClC=C(Cl)Cl
InChI
InChI=1S/C2HCl3/c3-1-2(4)5/h1H
IUPAC
1,1,2-trichloroethene
Vinyl chloride
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H3 Cl
Molecular Weight
62.50
Accurate Mass
61.9923
SMILES
ClC=C
InChI
InChI=1S/C2H3Cl/c1-2-3/h2H,1H2
IUPAC
chloroethene
Product Data
Storage Temperature
-18°C
Shipping Temperature
+20°C
Country of Origin
UNITED STATES
Product Format
Mixture
Solvent
Methanol
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