| CAS Number | 5182-43-4 |
| Catalog Number | AG00DR37(AGN-PC-0015YL) |
| Chemical Name | 1-Chloro-3-(2-chloroethyl)benzene |
| IUPAC Name | 1-chloro-3-(2-chloroethyl)benzene |
| InChI | InChI=1S/C8H8Cl2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6H,4-5H2 |
| InChI Key | UFXJPOIJORJPLO-UHFFFAOYSA-N |
| MDL Number | MFCD00218797 |
| Molecular Formula | C8H8Cl2 |
| Molecular Weight | 175.0551 |
| SMILES | ClCCC1=CC(Cl)=CC=C1 |
| Synonyms | 5182-43-4,
1-Chloro-3-(2-chloroethyl)benzene,
1-CHLORO-3-(2-CHLORO-ETHYL)-BENZENE,
1-CHLORO-3- (2-CHLORO-ETHYL)-BENZENE,
3-chlorophenethyl chloride,
SCHEMBL3084324,
CTK1G8292,
DTXSID90559355,
2-(3-chlorophenyl)ethyl chloride,
UFXJPOIJORJPLO-UHFFFAOYSA-N,
ZINC52945181,
AKOS011794240,
Benzene, 1-chloro-3-(2-chloroethyl)-,
SC-65471,
FT-0763063,
1-CHLORO-3- -BENZENE,
|
| Complexity | 93.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.052g/mol |
| Monoisotopic Mass | 174g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302
|
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Packing Group
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\N
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Precautionary statements
|
P280-P305+P351+P338
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|
UN Code
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\N
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Certificate of Analysis
Lot Number