AG003GY5

328-87-0 | 2-Chloro-5-trifluoromethylbenzonitrile

AG003GY5

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CAS Number	328-87-0
Catalog Number	AG003GY5(AGN-PC-0JL7WU)
Chemical Name	2-Chloro-5-trifluoromethylbenzonitrile
EC Number	206-338-7
IUPAC Name	2-chloro-5-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H3ClF3N/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3H
InChI Key	LCISFYAQKHOWBP-UHFFFAOYSA-N
MDL Number	MFCD00019742
Molecular Formula	C8H3ClF3N
Molecular Weight	205.5643
NSC Number	88338
SMILES	FC(F)(F)C1=CC(C#N)=C(Cl)C=C1
Synonyms	2-Chloro-5-(trifluoromethyl)benzonitrile, 328-87-0, 2-Chloro-5-trifluoromethylbenzonitrile, 4-Chloro-3-cyanobenzotrifluoride, Benzonitrile, 2-chloro-5-(trifluoromethyl)-, 4-Chloro-3-cyanobenzo trifluoride, LCISFYAQKHOWBP-UHFFFAOYSA-N, 4-CHLORO-3-CYANBENZOTRIFLUORIDE, AK-34713, EN300-38894, 2-chloro-5-(trifluoromethyl)benzenecarbonitrile, W-106810, ncr bg exfff, NSC88338, EINECS 206-338-7, NSC 88338, PubChem4749, AC1Q4IVO, ACMC-1CQ7C, AC1L27WZ, AC1Q4RB8, NCIOpen2_005388, KSC494Q7D, SCHEMBL384969, DTXSID6059815, 3-cyano-4-chlorobenzotrifluoride, CTK3J4871, KS-00000EHP, LCISFYAQKHOWBP-UHFFFAOYSA-, 4-chloro-3-cyano-benzotrifluoride, ZINC155322, ACT12356, BB_SC-03004, ZX-AP003379, ANW-27484, BBL009985, CC-980, CK1059, MFCD00019742, NSC-88338, PC1714, SBB055286, STK801379, AKOS005063755, AC-4055, AM61476, AS01653, CS-W002122, FCH2258024, MCULE-2864383282, PS-8095, RL03182, RTR-013800, TF10208, TRA0062764, VZ24322, 2-chloro-5-trifluoromethyl-benzonitrile, AJ-13541, AN-12392, BBV-34553337, BC206818, CC-10097, CJ-01419, ZB006018, AX8008039, DB-030841, TL8002481, TR-013800, FT-0611805, ST24040389, ST50307059, V2149, 2-Chloro-5-(trifluoromethyl)benzonitrile, 97%, K-7609, C-10190, 3S103157, I01-2386, F8880-0316, InChI=1/C8H3ClF3N/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3H, C8H3ClF3N, C8-H3-Cl-F3-N, CID67604, AR-1K6613, ACN-055918, A1643, C2050, 2-Chloro-5-(trifluoromethyl)benzonitrile, 98% - 1G 1g, 4834-59-7,

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	3.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number