AG003JC8

28188-41-2 | 3-(Bromomethyl)benzonitrile

AG003JC8

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CAS Number	28188-41-2
Catalog Number	AG003JC8(AGN-PC-0JM2DU)
Chemical Name	3-(Bromomethyl)benzonitrile
EC Number	248-890-1
IUPAC Name	3-(bromomethyl)benzonitrile
InChI	InChI=1S/C8H6BrN/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5H2
InChI Key	CVKOOKPNCVYHNY-UHFFFAOYSA-N
MDL Number	MFCD00001809
Molecular Formula	C8H6BrN
Molecular Weight	196.0439
NSC Number	108298
SMILES	N#CC1=CC=CC(CBr)=C1
Synonyms	3-(Bromomethyl)benzonitrile, 3-Cyanobenzyl bromide, 28188-41-2, alpha-Bromo-m-tolunitrile, m-Cyanobenzyl bromide, Benzonitrile, 3-(bromomethyl)-, m-(Bromomethyl)benzonitrile, alpha-Bromo-m-toluonitrile, m-Tolunitrile, .alpha.-bromo-, A-BROMO-M-TOLUNITRILE, 3-Bromomethylbenzonitrile, MFCD00001809, 3-Bromomethyl-benzonitrile, .alpha.-Bromo-m-tolunitrile, m-Cyano-.alpha.-bromotoluene, A-BROMO-M-TOLUONITRILE, 3-(bromomethyl)benzenecarbonitrile, CVKOOKPNCVYHNY-UHFFFAOYSA-N, OTAVA-BB 1369356, EN300-23991, W-107064, alpha-Bromo-m-tolunitrile (3-(Bromomethyl)benzonitrile), alpha-Bromo-m-tolunitrile, 95%, 3-Cyanobenzylbromide, m-Cyano-alpha-bromotoluene, m-cyanobenzylbromide, EINECS 248-890-1, 3-cyano benzylbromide, 3-cyano-benzylbromide, NSC 108298, m-cyano-benzyl bromide, 3-cyano benzyl bromide, 3-cyano-benzyl bromide, PubChem15686, ACMC-1CKZK, alpha-bromo m-tolunitrile, 3-bromomethyl benzonitrile, AC1Q27MR, AC1Q27NF, AC1Q27PK, alpha-bromo-meta-tolunitrile, alpha-bromo-meta-toluonitrile, 3-(bromo methyl)benzonitrile, 3-(bromomethyl)-benzonitrile, 3-(bromomethyl)benzo-nitrile, KSC497K2D, SCHEMBL132043, AC1L3Y49, AMBZ0156, DTXSID8067363, CTK3J7521, TIMTEC-BB SBB007997, 3-(Bromomethyl)benzonitrile, 95%, ACT07857, BCP27489, KS-00000EF2, ZINC1700477, ZX-AT006803, ANW-26351, BBL018131, EBD563758, m-Tolunitrile, alpha-bromo- (8CI), NSC108298, OR9974, SBB007997, STL183307, AKOS009085662, APN0000312, AS00648, FCH2256928, MCULE-1813100304, NSC-108298, RP25410, RTR-012490, TRA0070086, VZ26728, BBV-2067457, AC-13459, AK-78312, AS-15043, BC004026, BC206262, BR-78312, CC-14923, CJ-06687, CJ-28713, FS000810, SC-16593, DB-016164, ST2410377, TL8002243, TR-012490, A5376, AM20040085, C1665, CS-0005708, FT-0622120, ST50828060, S-1338, 188B412, C-08888, I01-0075, 3-(Bromomethyl)benzonitrile, purum, >=96.0% (HPLC), InChI=1/C8H6BrN/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5H, C8H6BrN, C8-H6-Br-N, CID97249, AR-1J3904, N740, 3-(Bromomethyl)benzonitrile, 98% - 25G 25g, 29119-03-7,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.968g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	196.047g/mol
Monoisotopic Mass	194.968g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H317-H319
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3261

Certificate of Analysis

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