AG019V1D

59488-39-0 | 1，1，1-Trifluoro-2-isothiocyanatoethane

AG019V1D

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CAS Number	59488-39-0
Catalog Number	AG019V1D(AGN-PC-00OBR2)
Chemical Name	1，1，1-Trifluoro-2-isothiocyanatoethane
IUPAC Name	1,1,1-trifluoro-2-isothiocyanatoethane
InChI	InChI=1S/C3H2F3NS/c4-3(5,6)1-7-2-8/h1H2
InChI Key	GOXVPASJCHROBY-UHFFFAOYSA-N
MDL Number	MFCD09933479
Molecular Formula	C3H2F3NS
Molecular Weight	141.1149
SMILES	S=C=NCC(F)(F)F
Synonyms	1,1,1-trifluoro-2-isothiocyanatoethane, 59488-39-0, Trifluoroethylisothiocyanate, 2,2,2-trifluoroethyl isothiocyanate, AC1Q4K6X, SCHEMBL4668501, CTK1D9348, DTXSID20551847, GOXVPASJCHROBY-UHFFFAOYSA-N, 2,2,2-trifluoroethylisothiocyanate, MFCD09933479, ZINC19437936, (2,2,2-trifluoroethyl)isothiocyanate, AKOS000174777, NE24691, 1,1,1-trifluoro-2-isothiocyanato-ethane, BS-12828, Ethane, 1,1,1-trifluoro-2-isothiocyanato-, EN300-43452,

Complexity	112
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.986g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	141.111g/mol
Monoisotopic Mass	140.986g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	44.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8(3)
Hazard statements	H226-H302-H312-H314-H331
Packing Group	Ⅱ
Precautionary statements	P210-P242-P243-P280-P303+P361+P353-P370+P378-P264-P270-P301+P310-P330-P302+P352-P312-P363-P301+P330+P331-P304+P340-P261-P271
Signal Words	danger
UN Code	UN 2920

Certificate of Analysis

Lot Number