AG001ZKP

1743-86-8 | Benzene, 1-isothiocyanato-2-(trifluoromethyl)-

AG001ZKP

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CAS Number	1743-86-8
Catalog Number	AG001ZKP(AGN-PC-0JVOPA)
Chemical Name	Benzene, 1-isothiocyanato-2-(trifluoromethyl)-
IUPAC Name	1-isothiocyanato-2-(trifluoromethyl)benzene
InChI	InChI=1S/C8H4F3NS/c9-8(10,11)6-3-1-2-4-7(6)12-5-13/h1-4H
InChI Key	FCEKLQPJGXIQRY-UHFFFAOYSA-N
MDL Number	MFCD00039644
Molecular Formula	C8H4F3NS
Molecular Weight	203.1843
SMILES	FC(C1=C(C=CC=C1)N=C=S)(F)F
Synonyms	2-(Trifluoromethyl)phenyl isothiocyanate, 1743-86-8, 1-isothiocyanato-2-(trifluoromethyl)benzene, 2-trifluoromethylphenylisothiocyanate, 2-(trifluoromethyl)phenylisothiocyanate, Benzene, 1-isothiocyanato-2-(trifluoromethyl)-, alpha,alpha,alpha-Trifluoro-o-tolyl Isothiocyanate, 2-trifluoromethylphenyl isothiocyanate, MFCD00039644, o-(trifluoromethyl)phenyl isothiocyanate, 1-isothiocyanato-2-trifluoromethyl-benzene, Isothiocyanic Acid 2-(Trifluoromethyl)phenyl Ester, 2-(trifluoromethyl)benzenisothiocyanate, PubChem5010, AC1LEJQJ, AC1Q4IMM, AC1Q4JUF, Intermediates-ZCF02298, ACMC-209e87, SCHEMBL1021664, CTK4D4969, DTXSID50353179, Trifluoromethylphenylisothiocyanate, FCEKLQPJGXIQRY-UHFFFAOYSA-N, ZINC164694, ACT02949, KS-000012AF, 5634AD, ANW-22709, BBL010001, SBB066516, STK801391, 2-trifluoromethyl phenyl isothiocyanate, AKOS001360209, AS04347, CM13784, MCULE-3573910619, 1-isothiocyanato-2-trifluoromethylbenzene, 2-(trifluoromethyl) phenyl isothiocyanate, 2-(trifluoromethyl)-phenyl isothiocyanate, 2-(trifluoromethyl)-phenyl-isothiocyanate, AJ-16267, ZB008260, DB-019570, TR-007736, FT-0612728, ST50825505, TL80073705, Benzene,1-isothiocyanato-2-(trifluoromethyl)-, 2-(Trifluoromethyl)phenyl isothiocyanate, 98%, A811636, J-010984, 2-(Isopropylamino)ethanol, C8H4F3NS, AR-1C9951, CID737162, ZINC00164694, T2459, 2-(Trifluoromethyl)phenyl isothiocyanate, 98% - 1G 1g, 109-56-8, 17539-24-1,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.002g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	203.182g/mol
Monoisotopic Mass	203.002g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	44.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301+H331-H315-H319-H335
Packing Group	Ⅱ
Precautionary statements	P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P332+P313+P362+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
UN Code	UN 2810

Certificate of Analysis

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