AG0033ZD

327-78-6 | 4-Chloro-3-(Trifluoromethyl)Phenyl Isocyanate

AG0033ZD

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CAS Number	327-78-6
Catalog Number	AG0033ZD(AGN-PC-0KK5YR)
Chemical Name	4-Chloro-3-(Trifluoromethyl)Phenyl Isocyanate
IUPAC Name	1-chloro-4-isocyanato-2-(trifluoromethyl)benzene
InChI	InChI=1S/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H
InChI Key	NBJZEUQTGLSUOB-UHFFFAOYSA-N
MDL Number	MFCD00013874
Molecular Formula	C8H3ClF3NO
Molecular Weight	221.5637
SMILES	O=C=Nc1ccc(c(c1)C(F)(F)F)Cl
Synonyms	4-Chloro-3-(trifluoromethyl)phenyl isocyanate, 327-78-6, 1-chloro-4-isocyanato-2-(trifluoromethyl)benzene, BENZENE, 1-CHLORO-4-ISOCYANATO-2-(TRIFLUOROMETHYL)-, 4-Chloro-3-(trifluoromethyl)phenylisocyanate, NBJZEUQTGLSUOB-UHFFFAOYSA-N, 4-CHLORO-3-TRIFLUOROMETHYLPHENYL ISOCYANATE, MFCD00013874, 4-Chloro-3-(trifluoromethoxy)phenyl Isocyanate, 1-Chloro-4-isocyanato-2-trifluoromethyl-benzene, 4-Chloro-3-(trifluoromethyl)phenyl isocyanate, 98%, 4-chloro-3-(trifluoromethyl)benzenisocyanate, 3-TRIFLUOROMETHYL-4-CHLORO-PHENYL ISOCYANATE, PubChem5027, AC1MBYHM, AC1Q4ING, G00036-Watson-In, EC 608-783-6, SCHEMBL58303, 1-chloro-4-isocyanato-2-(trifluoromethyl) benzene, KSC496Q0P, Intermediate of the Tandutinib, CTK3J6807, DTXSID70369818, ZINC152294, ACT13191, ALBB-007573, BCP02638, CS-M2757, EBD32644, KS-000001NW, ANW-27439, GEO-00821, SBB048895, STK504633, AKOS005063704, AM83172, AN-6179, AS00719, AS04362, CM13765, LS00145, RP05205, RTR-013755, TRA0040838, 4-chloro-3-trifluoromethyphenylisocyanate, 3-trifluoromethyl-4-chlorophenylisocyanate, 4-chloro-3-trifluoromethylphenylisocyanate, 4chloro-3-trifluoromethylphenyl isocyanate, AS-18998, BP-12634, SC-03494, SY013445, ZB005148, 3-trifluoromethyl- 4-chlorophenylisocyanate, 3-trifluoromethyl-4-chloro-phenylisocyanate, 3-trifluoromethyl-4-chlorophenyl isocyanate, 3-trifluoromethyl-4-chlorophenyl-isocyanate, 4-chloro-3-(trifloromethyl)phenyl isocynate, 4-chloro-3-trifluoromethyl-phenylisocyanate, 4-chloro-3-trifluoromethylphenyl-isocyanate, 4-choro-3-trifluoromethyl-phenyl isocyanate, AB0031101, AB1004062, TR-013755, 4-chloro-3-(trifluoromethyl)phenyl isocynate, 4-chloro-3-trifluoromethyl-phenyl isocyanate, 4-Chloro-a,a,a-trifluoro-m-tolyl isocyanate, 4chloro-3-(trifluoromethyl)phenyl isocyanate, BB 0260736, FT-0083560, FT-0602816, ST50825723, X4033, 3-(Trifluoromethyl)-4-chlorophenyl isocyanate, 4-Chloro-3-(trifluoromethyl)-phenylisocyanate, 4-chloro-3-(trifluoromethyl)isocyanatobenzene, 4-chloro-3-(trifluoromethyl)phenyli socyanate, MFCD00013874 (97%), 4-chloro-3-(trifluoromethyl)-phenyl isocyanate, M-1947, 1-chloro-4-isocyanato-2-(trifluoromethyl)-benzene, A821408, 1-chloranyl-4-isocyanato-2-(trifluoromethyl)benzene, I01-4515, W-200306, Isocyanic Acid 4-Chloro-3-(trifluoromethyl)phenyl Ester, null, C8H3ClF3NO, 4-Chloro-3- phenylisocyanate, ZINC00152294, CAS Number: 288383-71-1, ACN-034360, CID2733265, 4-Bromo-1,3-bis(trifluoromethyl)benzene, A5854, C2778, 4-Chloro-3-(trifluoromethyl)phenyl isocyanate, 97.5% - 25G 25g, Name: 4-chloro-6-methoxy-7-(3-(piperidin-1-yl)propoxy)quinazoline,

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.986g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	221.563g/mol
Monoisotopic Mass	220.986g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	29.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number