AG001YYT

1735-54-2 | Benzonitrile, 4-chloro-3-(trifluoromethyl)-

AG001YYT

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CAS Number	1735-54-2
Catalog Number	AG001YYT(AGN-PC-0KK7UN)
Chemical Name	Benzonitrile, 4-chloro-3-(trifluoromethyl)-
IUPAC Name	4-chloro-3-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H3ClF3N/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3H
InChI Key	VBPYHJRQZZCFCW-UHFFFAOYSA-N
MDL Number	MFCD00190117
Molecular Formula	C8H3ClF3N
Molecular Weight	205.5643
SMILES	N#CC1=CC=C(Cl)C(C(F)(F)F)=C1
Synonyms	4-Chloro-3-(trifluoromethyl)benzonitrile, 1735-54-2, 4-Chloro-3-trifluoromethylbenzonitrile, 2-Chloro-5-cyanobenzotrifluoride, 3-trifluoromethyl-4-chlorobenzonitrile, Benzonitrile, 4-chloro-3-(trifluoromethyl)-, MFCD00190117, AK-33688, 4-chloro-3-(trifluoromethyl)benzenecarbonitrile, PubChem8192, AC1MC5O0, KSC494O5B, SCHEMBL628094, ACMC-209e70, CTK3J4750, KS-00000EIH, DTXSID20371385, VBPYHJRQZZCFCW-UHFFFAOYSA-N, ZINC157032, ACN-S004384, ACN-S004630, ACT12486, JRD-0735, ZX-AP003967, ANW-22666, PC2004, SBB055261, 2-Chloro-5-cyanobenzotrifluoride 98%, AKOS005254281, AM61380, AS02736, FCH1321842, HCH0022043, MCULE-9896909952, PS-8094, RTR-007682, TF10200, TRA0032042, 4-chloro-3-trifluoromethyl-benzonitrile, 3-(Trifluoromethyl)-4-chlorobenzonitrile, AC-26125, AJ-14851, AN-49796, BBV-40197679, BC207230, BR-33688, CC-18769, CJ-01577, SY018295, ZB006522, 4-chloro-3-(trifluoromethyl)-benzonitrile, AB0021014, AB1005450, AX8008278, ST2405715, TL8001374, TR-007682, FT-0611815, ST50407110, V2148, B-2222, MFCD00190117 (97+%), C-10192, I01-2365, 4-Chloro-3-(trifluoromethyl)benzonitrile, AldrichCPR, C8H3ClF3N, cc-297, ZINC00157032, CID2736474, A1546, C2246,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.991g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	205.564g/mol
Monoisotopic Mass	204.991g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number