Disinfection By-products Mixture 912 5000 µg/mL in Acetone
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- structure.search.product.name Disinfection By-products Mixture 912 5000 µg/mL in Acetone
- Product Code: DRE-GA09000912AC
- Brand: Dr. Ehrenstorfer
Product Overview
Product Code
DRE-GA09000912AC
CAS Number
7 AnalytesProduct Format
Mixture
Solvent
Acetone
Product Categories
Dr. Ehrenstorfer, Volatile Organic Compound Research and Reference Materials
Documentation
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Product Information
Analyte Data
Analyte Name
Measured Value
CAS Number
Molecular Structure
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SMILES
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InChI
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1,1,1-Trichloro-2-propanone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C3 H3 Cl3 O
Molecular Weight
161.41
Accurate Mass
159.9249
SMILES
CC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C3H3Cl3O/c1-2(7)3(4,5)6/h1H3
IUPAC
1,1,1-trichloropropan-2-one
1,1-Dichloropropanone-2
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C3 H4 Cl2 O
Molecular Weight
126.97
Accurate Mass
125.9639
SMILES
CC(=O)C(Cl)Cl
InChI
InChI=1S/C3H4Cl2O/c1-2(6)3(4)5/h3H,1H3
IUPAC
1,1-dichloropropan-2-one
Bromochloroacetonitrile
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H Br Cl N
Molecular Weight
154.39
Accurate Mass
152.8981
SMILES
ClC(Br)C#N
InChI
InChI=1S/C2HBrClN/c3-2(4)1-5/h2H
IUPAC
2-bromo-2-chloroacetonitrile
Chloropicrin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C Cl3 N O2
Molecular Weight
164.38
Accurate Mass
162.8995
SMILES
[O-][N+](=O)C(Cl)(Cl)Cl
InChI
InChI=1S/CCl3NO2/c2-1(3,4)5(6)7
IUPAC
trichloro(nitro)methane
Dibromoacetonitrile
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H Br2 N
Molecular Weight
198.84
Accurate Mass
196.8476
SMILES
BrC(Br)C#N
InChI
InChI=1S/C2HBr2N/c3-2(4)1-5/h2H
IUPAC
2,2-dibromoacetonitrile
Dichloroacetonitrile
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H Cl2 N
Molecular Weight
109.94
Accurate Mass
108.9486
SMILES
ClC(Cl)C#N
InChI
InChI=1S/C2HCl2N/c3-2(4)1-5/h2H
IUPAC
2,2-dichloroacetonitrile
Trichloroacetonitrile
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 Cl3 N
Molecular Weight
144.39
Accurate Mass
142.9096
SMILES
ClC(Cl)(Cl)C#N
InChI
InChI=1S/C2Cl3N/c3-2(4,5)1-6
IUPAC
2,2,2-trichloroacetonitrile
Product Data
Storage Temperature
-18°C
Shipping Temperature
Ice pack (-20°C)
Country of Origin
UNITED STATES
Product Format
Mixture
Solvent
Acetone
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