Chlorinated Organic and Desinfectant by-products Mix 1 100 µg/mL in Acetone
Product Code
DRE-XA05510100AC
CAS Number
16 AnalytesProduct Format
Mixture
Solvent
Acetone
Lot Number
1395395AC
Expiry
2025-12-21
Price and availability
Documentation
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Product Information
Analyte Data
Analyte Name
Concentration
CAS Number
Molecular Structure
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Molecular Formula
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SMILES
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InChI
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IUPAC
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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-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
1,2-Dibromo-3-chloropropane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C3 H5 Br2 Cl
Molecular Weight
236.33
Accurate Mass
233.8447
SMILES
ClCC(Br)CBr
InChI
InChI=1S/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2
IUPAC
1,2-dibromo-3-chloropropane
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
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
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
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
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
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
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
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
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
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
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
Storage & Transport Information
Storage Temperature
-18°C
Shipping Temperature
+20°C
Country of Origin
GERMANY
Tariff Code
38220000
Product Attributes
Product Format
Mixture
Solvent
Acetone
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