AG002DX7

1897-52-5 | Benzonitrile, 2,​6-​difluoro-

AG002DX7

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CAS Number	1897-52-5
Catalog Number	AG002DX7(AGN-PC-0JLBSA)
Chemical Name	Benzonitrile, 2,​6-​difluoro-
EC Number	217-589-7
IUPAC Name	2,6-difluorobenzonitrile
InChI	InChI=1S/C7H3F2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
InChI Key	BNBRIFIJRKJGEI-UHFFFAOYSA-N
MDL Number	MFCD00001778
Molecular Formula	C7H3F2N
Molecular Weight	139.1022
SMILES	C(#N)c1c(F)cccc1F
UNII	1J58Z42A2E
Synonyms	2,6-difluorobenzonitrile, 2,6-Difluorobenzonitrile, 1897-52-5, 2,6-difluorobenznitrile, Benzonitrile, 2,6-difluoro-, 2,6-Difluoro-benzonitrile, 2,6-dfbn, UNII-1J58Z42A2E, 2,6-DIFLUORO BENZONITRILE, MFCD00001778, 2,6-difluorobenzenecarbonitrile, 2,6-DIFLUOROPHENYLCYANIDE, BNBRIFIJRKJGEI-UHFFFAOYSA-N, 1J58Z42A2E, ncr bf ff, EINECS 217-589-7, 6-difluorobenzonitrile, PubChem8865, ACMC-1BURY, 2,6 difluorobenzonitrile, AC1L2MGL, AC1Q4MUA, 2,6-Difluro benzonitrile, EC 217-589-7, AC1Q4R8I, DSSTox_CID_24609, DSSTox_RID_80348, DSSTox_GSID_44609, AURORA KA-1071, KSC177M7B, SCHEMBL186269, PARAGOS 460035, CHEMBL3185302, DTXSID5044609, 2,6-Difluorobenzonitrile, 97%, BNBRIFIJRKJGEI-UHFFFAOYSA-, CTK0H7670, KS-00000EFH, ATTERCOP-CHM AT134365, ZINC164372, JRD-0121, Tox21_302519, ANW-23457, BBL027356, SBB064645, STK802612, WT1780, AKOS000119992, AS02658, CM13040, CS-W016481, HF10045, LS11440, MCULE-5614114898, PS-9074, RP20498, RTR-032767, TRA0039954, VZ22929, 1897-52-5 2,6-difluorobenzonitrile, NCGC00256626-01, AC-10723, AJ-16124, AK-48930, AN-50070, BC201189, BP-12716, BR-48930, CJ-02117, SC-02049, ZB008113, CAS-1897-52-5, DB-030807, TL8001545, TR-032767, AM20060063, BB 0238642, D1650, FT-0649245, ST24027374, ST51016233, M-5980, 897D525, I01-5320, I01-6737, W-107744, F0001-0683, InChI=1/C7H3F2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H, C7H3F2N, C7-H3-F2-N, CID74695, AR-1K6610, ZINC00164372, 2,6-Difluorobenzonitrile, 98% 10g, ACN-046791, 2,6-Difluorobenzonitrile, 99% - 10G 10g, 1242338-90-4, 482-74-6,

Complexity	150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	139.023g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	139.105g/mol
Monoisotopic Mass	139.023g/mol
Rotatable Bond Count	0
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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number