| CAS Number | 57750-81-9 |
| Catalog Number | AG00IAA5(AGN-PC-0NJJNE) |
| Chemical Name | 4-Chloro-2-(chloromethyl)-1-nitrobenzene |
| IUPAC Name | 4-chloro-2-(chloromethyl)-1-nitrobenzene |
| InChI | InChI=1S/C7H5Cl2NO2/c8-4-5-3-6(9)1-2-7(5)10(11)12/h1-3H,4H2 |
| InChI Key | VERWATQGJOEFMQ-UHFFFAOYSA-N |
| MDL Number | MFCD12025225 |
| Molecular Formula | C7H5Cl2NO2 |
| Molecular Weight | 206.0261 |
| SMILES | [O-][N+](C1=C(CCl)C=C(Cl)C=C1)=O |
| Synonyms | 4-CHLORO-2-(CHLOROMETHYL)-1-NITROBENZENE,
57750-81-9,
SCHEMBL67864,
5-chloro-2-nitrobenzyl chloride,
DTXSID20503821,
VERWATQGJOEFMQ-UHFFFAOYSA-N,
4-nitro-3-chloromethylchlorobenzene,
ZINC39251609,
AKOS014097118,
4-Chloro-2-chloromethyl-1-nitro-benzene,
AJ-99406,
Benzene,4-chloro-2-(chloromethyl)-1-nitro-,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.022g/mol |
| Monoisotopic Mass | 204.97g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P280-P305+P351+P338-P310
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UN Code
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Certificate of Analysis
Lot Number