AG003FHQ

6590-97-2 | 2,3-Dichlorophenyl isothiocyanate

AG003FHQ

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CAS Number	6590-97-2
Catalog Number	AG003FHQ(AGN-PC-0KL850)
Chemical Name	2,3-Dichlorophenyl isothiocyanate
IUPAC Name	1,2-dichloro-3-isothiocyanatobenzene
InChI	InChI=1S/C7H3Cl2NS/c8-5-2-1-3-6(7(5)9)10-4-11/h1-3H
InChI Key	RQZIODPVCCTBAQ-UHFFFAOYSA-N
MDL Number	MFCD00041048
Molecular Formula	C7H3Cl2NS
Molecular Weight	204.0764
SMILES	ClC1=C(C=CC=C1Cl)N=C=S
Synonyms	2,3-Dichlorophenyl isothiocyanate, 6590-97-2, 1,2-dichloro-3-isothiocyanatobenzene, RQZIODPVCCTBAQ-UHFFFAOYSA-N, MFCD00041048, 2,3-DICHLOROPHENylisoTHIOCYANATE, Benzene,1,2-dichloro-3-isothiocyanato-, Benzene, 1,2-dichloro-3-isothiocyanato-, AC1MDVB8, dichlorophenylisothiocyanate, AC1Q3K7Z, dichlorophenyl isothiocyanate, ACMC-1B4G1, SCHEMBL895789, CTK5C3254, 2,3-dichlorophenyl-isothiocyanate, DTXSID40383829, ZINC164795, Bp-13308, SBB093232, 1,2-dichloro-3-isothiocyanato-benzene, AKOS003354476, 2,3-Dichloro-1-isothiocyanato-benzene, MCULE-8516636571, 2,3-Dichlorophenyl isothiocyanate, 98%, DB-019723, TC-171392, 1,2-bis(chloranyl)-3-isothiocyanato-benzene, D4923, FT-0609576, Isothiocyanic Acid 2,3-Dichlorophenyl Ester, ST50825521, W0180, A835277, I09-3065, J-802051, F0001-1760, C7H3Cl2NS, 2-Methoxyethyl isothiocyanate, 2,3-dichlorobenzenisothiocyanate, ZINC00164795, CID2796281, 2,3-Dichlorophenyl isothiocyanate, 97% - 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	202.936g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	204.068g/mol
Monoisotopic Mass	202.936g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	44.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H312-H318-H331-H314
Packing Group	\N
Precautionary statements	P280-P305+P351+P338-P310-P260h-P301+P330+P331-P303+P361+P353-P405-P501a
UN Code	\N

Certificate of Analysis

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