AG00BZ1D

42066-86-4 | 2-Cyanophenyl isocyanate

AG00BZ1D

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CAS Number	42066-86-4
Catalog Number	AG00BZ1D(AGN-PC-0WA6KT)
Chemical Name	2-Cyanophenyl isocyanate
IUPAC Name	2-isocyanatobenzonitrile
InChI	InChI=1S/C8H4N2O/c9-5-7-3-1-2-4-8(7)10-6-11/h1-4H
InChI Key	FQLNVWAFXQUXGW-UHFFFAOYSA-N
MDL Number	MFCD00829130
Molecular Formula	C8H4N2O
Molecular Weight	144.1302
SMILES	O=C=NC1=C(C#N)C=CC=C1
Synonyms	2-CYANOPHENYL ISOCYANATE, 42066-86-4, 2-isocyanatobenzonitrile, Benzonitrile,2-isocyanato-, 2-Isocyanato-benzonitrile, 2-isocyanatobenzenecarbonitrile, 2-CYANOPHENylisoCYANATE, Benzonitrile, 2-isocyanato-, AC1Q6BNZ, ACMC-1AP1B, AC1MC4B4, AC1Q6BO0, SCHEMBL136118, CTK4I5658, DTXSID60370993, FQLNVWAFXQUXGW-UHFFFAOYSA-N, ZINC158176, ANW-29730, MFCD00829130, RW3688, SBB054886, AKOS000122289, AS06143, CM13766, RP01399, VZ24469, BR-49785, SC-46528, ZB006845, DB-006099, TC-118475, 4CH-000665, AM20040444, FT-0080858, FT-0612695, W6207, EN300-01257, S-5447, A825747, J-509743, C8H4N2O, ZINC00158176, CID2735873,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	144.032g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	144.133g/mol
Monoisotopic Mass	144.032g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	53.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301+H311+H331
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P311
UN Code	UN 2811

Certificate of Analysis

Lot Number