AG001FXG

141106-52-7 | Benzene, 2,4-difluoro-1-isothiocyanato-

AG001FXG

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CAS Number	141106-52-7
Catalog Number	AG001FXG(AGN-PC-0JS8LH)
Chemical Name	Benzene, 2,4-difluoro-1-isothiocyanato-
IUPAC Name	2,4-difluoro-1-isothiocyanatobenzene
InChI	InChI=1S/C7H3F2NS/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H
InChI Key	ABGGPKIFVAIRGU-UHFFFAOYSA-N
MDL Number	MFCD00041044
Molecular Formula	C7H3F2NS
Molecular Weight	171.1672
SMILES	Fc1ccc(N=C=S)c(F)c1
Synonyms	2,4-Difluorophenyl isothiocyanate, 141106-52-7, 2,4-Difluoro-1-isothiocyanatobenzene, 2,4-difluoro(isothiocyanato)benzene, 2,4-difluoro-1-isothiocyanato-benzene, 2,4-difluorophenylisothiocyanate, MFCD00041044, Benzene, 2,4-difluoro-1-isothiocyanato-, Isothiocyanic Acid 2,4-Difluorophenyl Ester, ABGGPKIFVAIRGU-UHFFFAOYSA-N, 2,4-difluorobenzenisothiocyanate, PubChem4451, AC1LARBZ, ACMC-209clq, Intermediates-ZCF02076, benzene, 2,4-difluoro-1-isothiocyanato- (9ci), KSC494O1F, SCHEMBL156589, CTK3J4712, DTXSID00333840, OTAVA-BB 1055718, ZINC164717, 2,4-difluoro-phenyl isothiocyanate, ACT13182, KS-00000Z9P, 2,4-difluorophenylisothiocyanate97%, ANW-20604, BBL027962, CK1145, SBB064312, STK802373, 2,4-difluoro-1-isothiocyanato-benzen, AKOS001358595, 2,4-difluorophenyl isothiocyanate 97%, AC-9798, AS00361, CM13768, LS11584, MCULE-7321543697, TRA0027897, 2,4-Difluoro-1-isothiocyanatobenzene #, 2,4-Difluorophenyl isothiocyanate, 98%, AN-31608, BC227564, BP-12921, CJ-02206, PS-10298, ZB008267, AB0066901, DB-019944, RT-002154, D3454, FT-0610078, ST50824990, A21652, 106D527, I01-4608, 2,4-Difluoro-1-isothiocyanato-benzen;isothiocyanic acid 2,4-difluorophenyl ester, (DHQ)2PHAL, CID518879, ZINC00164717, ACN-045685, 2,4-Difluorophenyl isothiocyanate, 96% - 1G 1g,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.995g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	171.165g/mol
Monoisotopic Mass	170.995g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	44.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3334

Certificate of Analysis

Lot Number