AG0037UM

4461-33-0 | Benzoyl isocyanate

AG0037UM

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CAS Number	4461-33-0
Catalog Number	AG0037UM(AGN-PC-0BEZK3)
Chemical Name	Benzoyl isocyanate
EC Number	224-717-5
IUPAC Name	benzoyl isocyanate
InChI	InChI=1S/C8H5NO2/c10-6-9-8(11)7-4-2-1-3-5-7/h1-5H
InChI Key	LURYMYITPCOQAU-UHFFFAOYSA-N
MDL Number	MFCD00002032
Molecular Formula	C8H5NO2
Molecular Weight	147.1308
NSC Number	246191
SMILES	O=C=NC(=O)C=1C=CC=CC1
Synonyms	Benzoyl isocyanate, 4461-33-0, Benzoylisocyanate, LURYMYITPCOQAU-UHFFFAOYSA-N, Methanone, 1-phenyl-1-isocyanato-, MFCD00002032, oxophenylmethanisocyanate, Benzoyl isocyanate, 90%, tech., benzoyl isocynate, PhCONCO, EINECS 224-717-5, NSC246191, ACMC-20alpt, PubChem7575, AC1L2UQD, AC1Q6BNM, isocyanato(phenyl)methanone, isocyanato-phenyl-methanone, AC1Q5BD4, SCHEMBL84542, CTK1D8414, DTXSID90196249, OTAVA-BB 1779145, ZINC1766603, SBB067603, AKOS000160997, AS04369, NSC-246191, Benzoyl isocyanate, technical grade, 90%, RT-004109, FT-0622743, ST50824063, 461B330, A826636, Benzoyl isocyanate (9CI), C8-H5-N-O2, CID78210, AR-1H9418, 4808-75-7,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	147.032g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	147.133g/mol
Monoisotopic Mass	147.032g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H227-H302-H312-H331-H302+H312+H332-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P210e-P405-P501a
UN Code	UN 2206

Certificate of Analysis

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