AG003DPD

104-49-4 | 1,4-diisocyanatobenzene

AG003DPD

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CAS Number	104-49-4
Catalog Number	AG003DPD(AGN-PC-0JL47W)
Chemical Name	1,4-diisocyanatobenzene
EC Number	203-207-6
IUPAC Name	1,4-diisocyanatobenzene
InChI	InChI=1S/C8H4N2O2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H
InChI Key	ALQLPWJFHRMHIU-UHFFFAOYSA-N
MDL Number	MFCD00002025
Molecular Formula	C8H4N2O2
Molecular Weight	160.1296
NSC Number	94776
SMILES	O=C=Nc1ccc(N=C=O)cc1
UN Number	2811
UNII	OKE64XZR2L
Synonyms	1,4-Phenylene diisocyanate, 104-49-4, 1,4-Diisocyanatobenzene, p-Phenylene diisocyanate, BENZENE, 1,4-DIISOCYANATO-, p-Phenylene isocyanate, 1,4-Phenylenediisocyanate, Isocyanic acid, p-phenylene ester, UNII-OKE64XZR2L, 1,4-Benzenediisocyanate, 1,4-diisocyanato-benzene, EINECS 203-207-6, NSC 94776, OKE64XZR2L, Benzene 1,4-Diisocyanate, ALQLPWJFHRMHIU-UHFFFAOYSA-N, 1,4-Phenylene diisocyanate [Diisocyanates], benzene-1,4-diisocyanate, Isocyanic acid, p-phenylene ester (6CI,7CI,8CI), PPDI, p-phenylenediisocyanate, trans-Styrilacetic acid, 4,4'-Phenylisocyanate, Benzene,4-diisocyanato-, 1,4-diisocyanato-benzen, paraphenylene diisocyanate, AC1L1UCI, AC1Q6BNS, benzene,1,4-diisocyanato-, Phenylene-1,4-diisocyanate, NCIOpen2_001342, SCHEMBL15430, KSC178O0P, ACMC-2098c6, DTXSID3025883, CTK0H8707, KS-00000VL4, NSC94776, ZINC1609917, ANW-15076, LS-377, MFCD00002025, NSC-94776, SBB061671, AKOS000120973, MCULE-9748757617, RP22319, TRA0078511, DB-040547, RT-001071, FT-0631571, P1640, ST51047664, 104P494, I01-4419, J-504009, J-800251, p-phenylendiisocyanat, Phenylene diisocyanate, 1,4-, C8H4N2O2, C8-H4-N2-O2, CID61009, NA2811, UN2811, ACN-029198, 1,4-Phenylene diisocyanate, 98% - 10G 10g,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.027g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	160.132g/mol
Monoisotopic Mass	160.027g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	58.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302+H312+H332-H315-H318-H334
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P342+P311
UN Code	UN 2811

Certificate of Analysis

Lot Number