AG001W35

16532-79-9 | 4-Bromophenylacetonitrile

AG001W35

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CAS Number	16532-79-9
Catalog Number	AG001W35(AGN-PC-0JKJQK)
Chemical Name	4-Bromophenylacetonitrile
EC Number	240-602-2
IUPAC Name	2-(4-bromophenyl)acetonitrile
InChI	InChI=1S/C8H6BrN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2
InChI Key	MFHFWRBXPQDZSA-UHFFFAOYSA-N
MDL Number	MFCD00001916
Molecular Formula	C8H6BrN
Molecular Weight	196.0439
NSC Number	84174
SMILES	BrC1=CC=C(C=C1)CC#N
Synonyms	4-Bromophenylacetonitrile, 16532-79-9, 2-(4-Bromophenyl)acetonitrile, 4-Bromobenzyl cyanide, Benzeneacetonitrile, 4-bromo-, p-Bromophenylacetonitrile, 4-Bromobenzylcyanide, 4-Bromobenzeneacetonitrile, p-Bromobenzyl cyanide, p-Bromobenzylcyanide, ACETONITRILE, (p-BROMOPHENYL)-, (4-bromophenyl)acetonitrile, NSC 84174, EINECS 240-602-2, MFCD00001916, BRN 1861069, ATTERCOP-CHM AT106017, MFHFWRBXPQDZSA-UHFFFAOYSA-N, AK-27075, W-107936, 2-(4-bromophenyl)ethanenitrile, 4-Bromophenylacetonitrile, 99%, 4-brombenzylcyanid, NSC84174, PubChem4242, ACMC-209dsd, 4-bromophenyl acetonitrile, 4-bromophenyl-acetonitrile, 4-Bromo-phenylacetonitrile, 4-bromo-benzeneacetonitrile, UN 1694 (Related), WLN: NC1R DE, 4-bromo-phenyl-acetonitrile, SCHEMBL1875, 4-09-00-01683 (Beilstein Handbook Reference), KSC490Q4R, (4-Bromo-phenyl)-acetonitrile, AC1L1E81, AC1Q24V1, 4-Bromophenylacetonitrile, 98%, DTXSID6051774, 2-(4-bromophenyl) ethanenitrile, CTK3J0848, PKCBB_00324, 2-(4-bromo phenyl) acetonitrile, 2-(4-bromo-phenyl)-acetonitrile, OTAVA-BB 1287071, (P-BROMOPHENYL)ACETONITRILE, ZINC164864, ACT01180, STR01834, ZX-AT007022, ANW-22139, BR1112, NSC-84174, SBB055164, STL363609, AKOS000139487, AS01643, BBV-025876, CS-W008769, FCH2253494, HCH0023163, MCULE-5747302250, PS-3082, RTR-007116, TRA0035854, VZ28629, KS-0000002F, AJ-16306, BC002736, BC227508, BR-27075, CC-18506, CJ-02240, LS-13221, OR017366, SC-01549, ZB008341, AX8005841, BB0295557, DB-006736, ST2418224, TR-007116, FT-0081410, FT-0623226, ST45026904, EN300-18070, A22016, B-7401, AM-879/41567861, C-08889, I01-0795, I01-5993, F0001-0601, C8H6BrN, C8-H6-Br-N, CID27914, B1134, 4-Bromophenylacetonitrile, 98% - 100G 100g, ;(p-bromophenyl)-acetonitril;4-bromo-benzeneacetonitril,

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	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H301-H312+H332-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P305+P351+P338
UN Code	UN 3335

Certificate of Analysis

Lot Number