AG003IH7

658-99-1 | 2-(3,4-Difluorophenyl)acetonitrile

AG003IH7

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CAS Number	658-99-1
Catalog Number	AG003IH7(AGN-PC-0JL946)
Chemical Name	2-(3,4-Difluorophenyl)acetonitrile
EC Number	211-528-8
IUPAC Name	2-(3,4-difluorophenyl)acetonitrile
InChI	InChI=1S/C8H5F2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H2
InChI Key	GNPYERUNJMDEFQ-UHFFFAOYSA-N
MDL Number	MFCD00009974
Molecular Formula	C8H5F2N
Molecular Weight	153.1288
SMILES	N#CCC1=CC=C(F)C(F)=C1
Synonyms	3,4-Difluorophenylacetonitrile, 658-99-1, 2-(3,4-difluorophenyl)acetonitrile, 3,4-Difluorobenzyl cyanide, (3,4-Difluorophenyl)acetonitrile, Benzeneacetonitrile, 3,4-difluoro-, GNPYERUNJMDEFQ-UHFFFAOYSA-N, 2-(3,4-difluorophenyl)ethanenitrile, MFCD00009974, nc1r cf df, EINECS 211-528-8, PubChem4157, ACMC-1BAFD, AC1Q4LBO, AC1Q4NVT, AC1L2C6E, KSC493G1B, SCHEMBL435376, 3,4-difluorophenyl acetonitrile, CTK3J3310, TIMTEC-BB SBB006630, DTXSID10215986, ATTERCOP-CHM AT109931, ZINC155245, ACN-S004593, JRD-0172, KS-00000EH9, (3,4-difluoro-phenyl)-acetonitrile, ANW-35117, SBB006630, WT1755, WT2089, 3,4-Difluorophenylacetonitrile, 98%, 8-99-1 3,4-difluorobenzyl cyanide, AKOS005207087, 2-(3,4-difluoro-phenyl)-acetonitrile, AC-9789, AM82825, AN-6155, AS01967, CM13692, CS-W008405, MCULE-5047146452, PF10732, PS-8907, RP21686, RTC-062346, TRA0073735, 658-99-1 3,4-difluorobenzyl cyanide, AJ-13480, AK-41734, BR-41734, CJ-01409, L428, SC-06131, SY016893, ZB005996, AB0014699, DB-024201, TC-062346, 4CH-006855, FT-0083243, FT-0614286, ST24027494, ST50824386, A24138, S-1375, MFCD00009974 (97+%), 658D991, J-511156, Z1741957934, C8H5F2N, (R)-1-(4-bromophenyl)ethanamine, C8-H5-F2-N, (R)-1-(4-Bromophenyl)ethylamine, CID69572, AR-1K6507, ZINC00155245, ACN-038920, A7187, 3,4-Difluorophenylacetonitrile, 98% - 1G 1g, 45791-36-4, 1492-11-1,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.039g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	153.132g/mol
Monoisotopic Mass	153.039g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number