AG000FE9

114897-91-5 | Benzeneacetonitrile, 4-bromo-2-fluoro-

AG000FE9

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CAS Number	114897-91-5
Catalog Number	AG000FE9(AGN-PC-0LX8YY)
Chemical Name	Benzeneacetonitrile, 4-bromo-2-fluoro-
IUPAC Name	2-(4-bromo-2-fluorophenyl)acetonitrile
InChI	InChI=1S/C8H5BrFN/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3H2
InChI Key	QLASQEZPJFNZQC-UHFFFAOYSA-N
MDL Number	MFCD07368653
Molecular Formula	C8H5BrFN
Molecular Weight	214.0344
SMILES	C1=C(C(=CC(=C1)Br)F)CC#N
Synonyms	114897-91-5, 4-Bromo-2-fluorobenzyl cyanide, 2-(4-bromo-2-fluorophenyl)acetonitrile, 4-BROMO-2-FLUOROPHENYLACETONITRILE, 2-Fluoro-4-bromophenylacetonitrile, Benzeneacetonitrile, 4-bromo-2-fluoro-, (4-bromo-2-fluorophenyl)acetonitrile, AK-32213, 2-(4-bromo-2-fluorophenyl)ethanenitrile, 4-Bromo-2-fluorobenzylcyanide, 2-Fluoro-4-bromobenzeneacetonitrile, PubChem10413, AC1OGPP7, ACMC-2099lv, SCHEMBL5825, 4-bromo-2-fluoro benzyl cyanide, CTK3J3919, DTXSID10428296, QLASQEZPJFNZQC-UHFFFAOYSA-N, ACN-S003981, ACT01058, ZINC4291238, ZX-AP004686, ANW-16721, DT1088, FCH098934, MFCD07368653, PC8933, SBB055287, (4-bromo-2-fluorophenyl) acetonitrile, AKOS005265022, AM61267, AS06079, CM13656, CS-W003384, MCULE-6114754252, PS-7967, QC-7712, RTR-002720, TRA0014134, (4-Bromo-2-fluoro-phenyl)-acetonitrile, 4-Bromo-2-fluorobenzyl cyanide, 98+%, 2-(4-bromo-2-fluoro-phenyl)acetonitrile, AJ-50369, AN-33278, BBV-21718299, BC003536, BR-32213, CJ-11905, SC-44141, SY011272, AB0008683, AB1006163, AX8094875, ST2409325, TR-002720, 4CH-015816, FT-0655179, ST50949925, A-5041, MFCD07368653 (97+%), I01-2349, null, C8H5BrFN, 2-Bromo-fluorophenylacetonitrile, 2-BROMO-4-FLUOROBENZYL CYANIDE, 2-(2-bromo-4-fluorophenyl)acetonitrile, ZINC04291238, 2-BROMO-4-FLUOROPHENYLACETONITRILE, CID7172308, A1484, 4-Bromo-2-fluorobenzyl cyanide, 98% - 25G 25g,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.959g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	214.037g/mol
Monoisotopic Mass	212.959g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3276

Certificate of Analysis

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