AG003K6M

17201-43-3 | 4-Cyanobenzyl bromide

AG003K6M

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CAS Number	17201-43-3
Catalog Number	AG003K6M(AGN-PC-0JLWIA)
Chemical Name	4-Cyanobenzyl bromide
EC Number	241-246-0
IUPAC Name	4-(bromomethyl)benzonitrile
InChI	InChI=1S/C8H6BrN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2
InChI Key	UMLFTCYAQPPZER-UHFFFAOYSA-N
MDL Number	MFCD00001829
Molecular Formula	C8H6BrN
Molecular Weight	196.0439
NSC Number	95792
SMILES	C1=CC(=CC=C1C#N)CBr
Synonyms	4-Cyanobenzyl bromide, 17201-43-3, 4-(Bromomethyl)benzonitrile, p-Cyanobenzyl bromide, alpha-Bromo-p-tolunitrile, Benzonitrile, 4-(bromomethyl)-, 4-bromomethylbenzonitrile, alpha-Bromo-p-toluonitrile, 4-Bromomethyl-benzonitrile, p-(Bromomethyl)benzonitrile, 4-Cyano benzyl bromide, Benzonitrile, p-(bromomethyl)-, 4CNBB, .alpha.-Bromo-p-tolunitrile, MFCD00001829, NSC 95792, A-BROMO-P-TOLUNITRILE, CYANOBENZYLBROMIDE(P-), AKOS BC-3028, p-Tolunitrile, .alpha.-bromo-, p-Toluonitrile, .alpha.-bromo-, 4-(bromomethyl)benzenecarbonitrile, UMLFTCYAQPPZER-UHFFFAOYSA-N, AK-49481, Q-200404, alpha-Bromo-p-tolunitrile, 98%, p-Tolunitrile, alpha-bromo-, p-Toluonitrile, alpha-bromo-, p-cyanobenzylbromide, 4-cyanobenzylbromide, EINECS 241-246-0, 4-cyano benzylbromide, 4-cyano-benzylbromide, 4-cyanobenzyl-bromide, a-bromo p-tolunitrile, PubChem7495, a-bromo-p-toluonitrile, p-cyano-benzyl bromide, 4-cyano-benzyl bromide, para-cyanobenzyl bromide, alpha-bromo-4-tolunitrile, 4-bromomethyl benzonitrile, alpha-bromo-p-cyanotoluene, SCHEMBL531, alpha-bromo-4-toluonitrile, ACMC-209e3t, AC1L3CQ8, AC1Q27MZ, AC1Q27OS, NCIOpen2_001738, ABACIPHARM 60535, 1-bromomethyl-4-cyanobenzene, 4-(bromo-methyl)benzonitrile, 4-(bromomethyl)-benzonitrile, KSC178E1D, (4-cyanophenyl)methyl bromide, 4-(bromo-methyl)-benzonitrile, AMBZ0157, Jsp003514, CTK0H8211, TIMTEC-BB SBB040652, OTAVA-BB 1369355, 4-(Bromomethyl)benzonitrile, 99%, ACT01163, ALBB-012220, BCP22608, BROMO(ALPHA-)-P-TOLUNITRILE, KS-00000ED1, NSC95792, ZINC1621442, ZX-AN011026, ZX-AT007941, AKOS BBS-00003970, ANW-22551, BBL018703, NSC-95792, OR5037, SBB040652, STL168878, AKOS000268730, AC-8256, AN-8192, AS00649, CHM0025587, CS-W001931, FCH2255965, GS-3163, MCULE-9419142227, RP25414, RTR-007575, TRA0084809, BBV-2064310, AJ-28346, BC003256, BC201242, BP-21342, BR-49481, CC-18477, CJ-05799, CJ-26144, SC-01675, AX8032265, DB-016181, ST2411383, TL8001353, TR-007575, AM20060010, BB 0259257, C1398, FT-0622123, ST50214109, AZ0001-0218, 01C433, 10.14272/UMLFTCYAQPPZER-UHFFFAOYSA-N, A25002, C-08896, doi:10.14272/UMLFTCYAQPPZER-UHFFFAOYSA-N.1, I01-3290, 4-(Bromomethyl)benzonitrile, purum, >=95.0% (HPLC), InChI=1/C8H6BrN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H, p-(Bromomethyl)benzonitrile;p-Tolunitrile, alpha-bromo-;p-Toluonitrile, alpha-bromo-, C8H6BrN, ?-Bromo-p-toluonitrile, 4-(Benzyloxy)benzyl chloride, C8-H6-Br-N, Benzonitrilo, 4-(bromometil)-, 1-(bromomethyl)-4-cyanobenzene, CID86996, AR-1K9792, ACN-037811, 4-Cyanobenzyl bromide, 98% - 10G 10g, B-7450, 7338-51-4,

Complexity	139
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	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H317-H334
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

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