AG003K6X

874-86-2 | 4-(Chloromethyl)tolunitrile

AG003K6X

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CAS Number	874-86-2
Catalog Number	AG003K6X(AGN-PC-0JL9HI)
Chemical Name	4-(Chloromethyl)tolunitrile
EC Number	212-869-5
IUPAC Name	4-(chloromethyl)benzonitrile
InChI	InChI=1S/C8H6ClN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2
InChI Key	LOQLDQJTSMKBJU-UHFFFAOYSA-N
MDL Number	MFCD00015443
Molecular Formula	C8H6ClN
Molecular Weight	151.5929
SMILES	N#Cc1ccc(cc1)CCl
Synonyms	4-(Chloromethyl)benzonitrile, 874-86-2, 4-Cyanobenzyl Chloride, 4-Chloromethylbenzonitrile, 4-(Chloromethyl)tolunitrile, 4-Chloromethyl-benzonitrile, p-Cyanobenzyl chloride, Benzonitrile, 4-(chloromethyl)-, NSC 6307, CCRIS 5103, EINECS 212-869-5, NSC 44855, LOQLDQJTSMKBJU-UHFFFAOYSA-N, MFCD00019761, 4-Chloromethylbenzonitrile, 98%, 4-(chloromethyl)benzenecarbonitrile, 4-cyanobenzylchloride, PubChem7377, a-Chloro-p-tolunitrile, AC1L2DEQ, alp.-Chloro-p-tolunitrile, alpha-Chloro-p-tolunitrile, alpha-chloro-4-tolunitrile, ACMC-209vp1, AC1Q3U8J, KSC491C5N, SCHEMBL200142, 4-(Chloromethyl)benzonitrile #, Benzonitrile,4-(chloromethyl)-, 4-(CH2Cl)-C6H4-CN, CTK3J1156, KS-00000WOB, DTXSID20236329, NSC6307, ZINC559396, NSC-6307, NSC44855, ZERO/004616, ANW-45347, BBL012561, NSC-44855, SBB012810, STK743375, AKOS000294854, CS-W004115, LS11851, MCULE-7074405237, RP21533, TRA0093771, 4-(Chloromethyl)benzonitrile, >=97.0%, AJ-23480, AK-53408, AM101433, AS-10819, BC202327, SC-07100, ZB014420, AB0008278, AB1009800, LS-188208, ST2405433, ST4128418, TC-134092, C1985, FT-0659739, M-3168, 874C862, W-104019, F0001-2176, Alcalase? 2.4L; Proteinase from Bacillus licheniformis; Subtilisin? A; Subtilisin? Carslberg, 3-Cyanobenzylchloride, C8H6ClN, |A-Chloro-p-tolunitrile, C8-H6-Cl-N, CID70127, AR-1F6784, 4-(Chloromethyl)benzonitrile, 98% - 10G 10g, 936-58-3,

Complexity	139
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	151.019g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	151.593g/mol
Monoisotopic Mass	151.019g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H317-H319
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

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