AG001DB5

145689-34-5 | Benzeneacetonitrile, 2,3-difluoro-

AG001DB5

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CAS Number	145689-34-5
Catalog Number	AG001DB5(AGN-PC-0JS8MP)
Chemical Name	Benzeneacetonitrile, 2,3-difluoro-
IUPAC Name	2-(2,3-difluorophenyl)acetonitrile
InChI	InChI=1S/C8H5F2N/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3H,4H2
InChI Key	IYRCHGRRMKOSHW-UHFFFAOYSA-N
MDL Number	MFCD00061277
Molecular Formula	C8H5F2N
Molecular Weight	153.1288
SMILES	N#CCC1=CC=CC(F)=C1F
Synonyms	2,3-Difluorophenylacetonitrile, 145689-34-5, 2-(2,3-difluorophenyl)acetonitrile, 2,3-difluorobenzyl cyanide, 2,3-difluorophenylacetanitrile, Benzeneacetonitrile, 2,3-difluoro-, IYRCHGRRMKOSHW-UHFFFAOYSA-N, 2-(2,3-difluorophenyl)ethanenitrile, MFCD00061277, 2,3-DIFLUOROBENZENEACETONITRILE, PubChem1587, AC1LARH5, AC1Q4MRY, ACMC-209x0i, KSC183Q4T, SCHEMBL837981, 2,3-difluorophenyl acetonitrile, 2,3-difluorophenyl-acetonitrile, CTK0I3849, IYRCHGRRMKOSHW-UHFFFAOYSA-, (2,3-difluorophenyl)acetonitrile, DTXSID30333858, ATTERCOP-CHM AT118427, ZINC157125, ACT00191, JRD-0486, KS-00000EI5, (2,3-difluoro-phenyl)-acetonitrile, 2,3-Difluorophenylacetonitrile 97%, ANW-47056, SBB063630, AKOS005258041, AM61350, AS01724, CD-1742, CS-W002287, MCULE-3818163497, PS-8910, QC-2453, RTR-005738, TF10087, TRA0055188, AC-24746, AJ-14891, AK-53692, AN-31379, BR-53692, CJ-01592, SC-44774, SY018421, AB0011230, DB-030776, ST2416010, TR-005738, D4602, FT-0084952, FT-0609624, ST50824388, S-2666, MFCD00061277 (97+%), 689D345, I01-2359, InChI=1/C8H5F2N/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3H,4H2, C8H5F2N, CID518968, ZINC00157125, ACN-050424, Benzeneacetonitrile, 2,3-difluoro- (9CI), A1519,

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	6.1
Hazard statements	H301-H311-H331
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P311
UN Code	UN 3276

Certificate of Analysis

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