AG003H0E

668-45-1 | 2-Chloro-6-fluorobenzonitrile

AG003H0E

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CAS Number	668-45-1
Catalog Number	AG003H0E(AGN-PC-0JL94K)
Chemical Name	2-Chloro-6-fluorobenzonitrile
EC Number	211-571-2
IUPAC Name	2-chloro-6-fluorobenzonitrile
InChI	InChI=1S/C7H3ClFN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
InChI Key	XPTAYRHLHAFUOS-UHFFFAOYSA-N
MDL Number	MFCD00001780
Molecular Formula	C7H3ClFN
Molecular Weight	155.5568
SMILES	N#CC1=C(F)C=CC=C1Cl
Synonyms	2-Chloro-6-fluorobenzonitrile, 668-45-1, 2-Fluoro-6-chlorobenzonitrile, Benzonitrile, 2-chloro-6-fluoro-, 2-chloro-6-fluoro-benzonitrile, MFCD00001780, XPTAYRHLHAFUOS-UHFFFAOYSA-N, 2-Chloro-6-fluorobenzonitrile, 98%, ncr bg ff, EINECS 211-571-2, PubChem3423, AC1L2C7N, AC1Q4R8H, KSC490Q6T, SCHEMBL186023, ACMC-1B036, CTK3J0869, KS-00000EFT, TIMTEC-BB SBB042501, DTXSID70216919, ZINC155197, ACT00598, BCP21920, JRD-1558, 2-chloro-6-fluorobenzenecarbonitrile, 6-chloro-2-fluorobenzenecarbonitrile, AKOS BBS-00006480, ANW-35257, LABOTEST-BB LT00159627, LABOTEST-BB LT03380876, LABOTEST-BB LT03496598, SBB042501, STL169378, WT1796, 2-Chloro-6-fluorobenzoic acid nitrile, AKOS000120932, AC-4042, AS02661, CM13002, CS-W020582, MCULE-8551355070, PS-8857, RP21965, RTR-032765, TRA0051446, AJ-13449, AN-12379, BR-36057, CJ-01402, L241, SC-06183, ZB005968, 668-45-1 2-chloro-6-fluorobenzonitrile, AB0014605, DB-020878, TL8004721, TR-032765, A8992, AM20040986, FT-0081782, FT-0611854, ST24032449, ST45027560, C-4539, Z-9577, I01-0598, W-104736, 2-Chloro-6-fluorobenzonitrile, purum, >=98.0% (GC), F0001-1772, InChI=1/C7H3ClFN/c8-6-2-1-3-7(9)5(6)4-10/h1-3, C7H3ClFN, C7-H3-Cl-F-N, CID69587, AR-1K6614, c1002, ZINC00155197, 4835-22-7,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.994g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	155.556g/mol
Monoisotopic Mass	154.994g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 3439

Certificate of Analysis

Lot Number