AG003K9J

874-87-3 | 4-(Methylthio)benzyl chloride

AG003K9J

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CAS Number	874-87-3
Catalog Number	AG003K9J(AGN-PC-0JL9HJ)
Chemical Name	4-(Methylthio)benzyl chloride
EC Number	212-870-0
IUPAC Name	1-(chloromethyl)-4-methylsulfanylbenzene
InChI	InChI=1S/C8H9ClS/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3
InChI Key	VWVZFHRDLPHBEG-UHFFFAOYSA-N
MDL Number	MFCD00270118
Molecular Formula	C8H9ClS
Molecular Weight	172.6751
SMILES	CSC1=CC=C(C=C1)CCl
Synonyms	4-(Methylthio)benzyl chloride, 874-87-3, 4-(Methylthio)BenzylChloride, 1-(Chloromethyl)-4-(methylthio)benzene, 4-(Chloromethyl)thioanisole, P-(METHYLTHIO)BENZYL CHLORIDE, 4-methylthiobenzyl chloride, MFCD00270118, (4-(chloromethyl)phenyl)(methyl)sulfane, 1-(chloromethyl)-4-methylsulfanylbenzene, 1-(chloromethyl)-4-(methylsulfanyl)benzene, Benzene, 1-(chloromethyl)-4-(methylthio)-, EINECS 212-870-0, 4-(chloromethyl)phenyl methyl sulfide, PubChem10530, 4-chloromethylthioanisole, AC1L2DET, AC1Q4GZB, AC1Q4GZC, p-methylthiobenzyl chloride, AC1Q3U9C, 4-methylthio-benzyl chloride, 4-Methylmercaptobenzyl chloride, SCHEMBL1006499, (4-methylthiophenyl)chloromethane, CTK3J1302, DTXSID30236330, VWVZFHRDLPHBEG-UHFFFAOYSA-N, ZINC1845602, 1-Chloromethyl-4-(methylthio)benzene, 4-(chloromethyl)-1-methylthiobenzene, 4-(Methylthio)benzyl chloride, 97%, 4-(Methylthio)benzyl chloride, 99%, 1-Chloromethyl-4-methylsulfanylbenzene, AKOS001083823, AB05549, FS-4564, MCULE-9559072468, RP23505, RTR-027508, 1-chloromethyl-4-(methylsulfanyl)benzene, CJ-30100, I304, SC-44272, Benzene,1-(chloromethyl)-4-(methylthio)-, AB1004138, TL8006799, TR-027508, FT-0676427, ST51036738, EN300-09855, Y-8723, 874M873, I09-1506, J-523862, P-(Methyltho)benzyl chlorde (stablzed wth calcum carbonate), p-(Methylthio)benzyl chloride (Stabilized with Calcium carbonate), 4- benzylchloride, C8H9ClS, C8-H9-Cl-S, CID70128, AR-1F6786, ZINC01845602, A10418, 93665-84-0,

Complexity	87.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.011g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.67g/mol
Monoisotopic Mass	172.011g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	25.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 1760

Certificate of Analysis

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