AG004QWR

86-84-0 | 1-Naphthyl isocyanate

AG004QWR

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CAS Number	86-84-0
Catalog Number	AG004QWR(AGN-PC-0WA4QM)
Chemical Name	1-Naphthyl isocyanate
IUPAC Name	1-isocyanatonaphthalene
InChI	InChI=1S/C11H7NO/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H
InChI Key	BDQNKCYCTYYMAA-UHFFFAOYSA-N
MDL Number	MFCD00003881
Molecular Formula	C11H7NO
Molecular Weight	169.1794
NSC Number	4023
SMILES	O=C=Nc1cccc2c1cccc2
UNII	5LH2P0691E
Synonyms	1-isocyanatonaphthalene, 1-naphthyl isocyanate, alpha-naphthyl isocyanate, 1-Naphthyl isocyanate, 86-84-0, 1-Isocyanatonaphthalene, Naphthalene, 1-isocyanato-, alpha-Naphthyl isocyanate, Isocyanatonaphthalene, 1-Naphthylisocyanate, 1-isocyanato-naphthalene, 30135-65-0, UNII-5LH2P0691E, Isocyanic acid, 1-naphthyl ester, MFCD00003881, .alpha.-Naphthyl isocyanate, BDQNKCYCTYYMAA-UHFFFAOYSA-N, 5LH2P0691E, Cyclohexane-195, 1-Naphthyl isocyanate, 99%, Naphthalene, isocyanato-, naphthylisocyanat, naphthylisocyanate, Isocyanic Acid 1-Naphthyl Ester, naphthyl isocyanate, NSC 4023, EINECS 201-703-7, EINECS 250-067-7, l-naphthyl isocyanate, 1-naphthyl-isocyanate, 1-Isocyanatonapthalene, alpha-naphthylisocyanate, ACMC-1COIT, AI3-15382, Alpha Naphthyl Isocyanate, SCHEMBL374, EC 201-703-7, AC1L25PK, AC1Q6BO3, KSC493G6P, 1-Naphthyl isocyanate, 98%, CHEMBL2074791, DTXSID9058949, CTK3J3367, NSC4023, ZINC152343, KS-00000V6U, NSC-4023, ANW-38388, BBL027443, STK399781, AKOS000120750, AB00331, MCULE-1170313929, RTR-033562, AN-24106, AS-14269, Isocyanic acid, 1-naphthyl ester (8CI), K549, O133, ZB005169, AB1003503, DB-019292, TR-033562, FT-0608118, FT-0651962, I0125, isocyanato-Naphthalene; Isocyanatonaphthalene, 003N881, A820223, I14-7759, W-104056, I14-11942, F2191-0305, 1-Naphthyl isocyanate, for HPLC derivatization, >=99.0% (GC), InChI=1/C11H7NO/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7, 1-naphthylisocyanat, Naphtyl-1 isocyanate, 1-Isocyanatonaphthalin, C11H7NO, 1-ISOCYANONAPHTHALENE, C11-H7-N-O, CID66589, C061621, 1-Naphthyl isocyanate, 99%, derivatization grade - 25G 25g,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.053g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	169.183g/mol
Monoisotopic Mass	169.053g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	29.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302+H312+H332-H315-H319-H334-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P342+P311
UN Code	UN 2206

Certificate of Analysis

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