| CAS Number | 109418-89-5 |
| Catalog Number | AG00929K(AGN-PC-04VYH0) |
| Chemical Name | (2-Chloro-4-(chloromethyl)phenyl)(methyl)sulfane |
| IUPAC Name | 2-chloro-4-(chloromethyl)-1-methylsulfanylbenzene |
| InChI | InChI=1S/C8H8Cl2S/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4H,5H2,1H3 |
| InChI Key | CDAAPXAACBSAHC-UHFFFAOYSA-N |
| MDL Number | MFCD22489924 |
| Molecular Formula | C8H8Cl2S |
| Molecular Weight | 207.1201 |
| SMILES | CSC1=C(Cl)C=C(CCl)C=C1 |
| Synonyms | (2-Chloro-4-(chloromethyl)phenyl)(methyl)sulfane,
109418-89-5,
3-CHLORO-4-METHYLTHIOBENZYLCHLORIDE,
C8H8Cl2S,
SCHEMBL4135418,
DTXSID30648499,
RW3530,
ZINC91301407,
AKOS005064150,
FCH1652362,
QC-2132,
AK123379,
AB0033217,
AJ-129646,
AX8247557,
FT-0696457,
ST24033850,
X6696,
2-CHLORO-4-(CHLOROMETHYL)-1-(METHYLSULFANYL)BENZENE,
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| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.972g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.112g/mol |
| Monoisotopic Mass | 205.972g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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