AG003JB8

1529-41-5 | (3-Chlorophenyl)acetonitrile

AG003JB8

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CAS Number	1529-41-5
Catalog Number	AG003JB8(AGN-PC-0JLB5C)
Chemical Name	(3-Chlorophenyl)acetonitrile
EC Number	216-213-9
IUPAC Name	2-(3-chlorophenyl)acetonitrile
InChI	InChI=1S/C8H6ClN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2
InChI Key	GTIKLPYCSAMPNG-UHFFFAOYSA-N
MDL Number	MFCD00001908
Molecular Formula	C8H6ClN
Molecular Weight	151.5929
SMILES	C1=C(CC#N)C=CC=C1Cl
Synonyms	3-Chlorobenzyl cyanide, 1529-41-5, (3-Chlorophenyl)acetonitrile, 3-Chlorophenylacetonitrile, 3-Chlorobenzeneacetonitrile, 2-(3-chlorophenyl)acetonitrile, m-Chlorobenzyl cyanide, Acetonitrile, (m-chlorophenyl)-, BENZENEACETONITRILE, 3-CHLORO-, (m-Chlorophenyl)acetonitrile, 3-Chlorobenzylcyanide, EINECS 216-213-9, BRN 2042965, 2-(3-chlorophenyl)ethanenitrile, GTIKLPYCSAMPNG-UHFFFAOYSA-N, MFCD00001908, PubChem16504, AC1L2KDD, 3-chloro-phenylacetonitrile, ACMC-209d8e, 3-chloro-benzeneacetonitrile, AC1Q3K4M, 3-(Chlorophenyl)acetonitrile, SCHEMBL37581, KSC174O4R, 2-(3-chlorophenyl) acetonitrile, CTK0H4748, GTIKLPYCSAMPNG-UHFFFAOYSA-, KS-00000IWV, DTXSID10165154, M-CHLOROPHENYL-ACETONITRILE, OTAVA-BB 1519438, ZINC155172, (3-Chlorophenyl)acetonitrile, 99%, ANW-21420, LABOTEST-BB LT00159490, SBB057203, STK398312, AKOS000119501, AC-4375, AS01360, Benzeneacetonitrile, 3-chloro- (9CI), MCULE-8059066280, RTR-006309, TRA0001748, AJ-13443, AN-12055, AS-11852, BR-46767, CJ-01398, LS-13226, SC-25867, ZB005961, AB0010879, DB-043167, ST2407972, TR-006309, AM20050093, C1091, FT-0615477, ST50722824, AZ0001-0321, M-3171, A809364, I01-0627, W-108046, Z57039594, InChI=1/C8H6ClN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2, C8H6ClN, C8-H6-Cl-N, CID73722, 3-Chlorobenzyl cyanide, 99% - 25G 25g, 4-09-00-01675 (Beilstein Handbook Reference),

Complexity	147
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	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301+H311+H331
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P311
UN Code	UN 3276

Certificate of Analysis

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