AG003B6O

1592-00-3 | 2-Bromophenyl isocyanate

AG003B6O

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CAS Number	1592-00-3
Catalog Number	AG003B6O(AGN-PC-0JMP9D)
Chemical Name	2-Bromophenyl isocyanate
IUPAC Name	1-bromo-2-isocyanatobenzene
InChI	InChI=1S/C7H4BrNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
InChI Key	GOOVAYJIVMBWPP-UHFFFAOYSA-N
MDL Number	MFCD00001995
Molecular Formula	C7H4BrNO
Molecular Weight	198.0168
SMILES	O=C=NC1=CC=CC=C1Br
Synonyms	2-Bromophenyl isocyanate, 1592-00-3, 1-Bromo-2-isocyanatobenzene, 2-BROMOPHENYLISOCYANATE, Benzene, 1-bromo-2-isocyanato-, GOOVAYJIVMBWPP-UHFFFAOYSA-N, Isocyanic Acid 2-Bromophenyl Ester, MFCD00001995, 2-bromobenzenisocyanate, 2bromophenylisocyanate, 2-bromophenylisocynate, o-bromophenyl isocyanate, ACMC-209djl, 2-bromo phenylisocyanate, 2-bromo phenyl isocyanate, 3-BROMOPROPANOL-1, AC1Q24GI, SCHEMBL93220, KSC493A3D, 1-Bromo-2-isocyanatobenzene #, AC1L39W2, Benzene,1-bromo-2-isocyanato-, 2-Bromophenyl isocyanate, 97%, CTK3J3031, GOOVAYJIVMBWPP-UHFFFAOYSA-, KS-00000ZFM, DTXSID10166606, ZINC153354, ALBB-003015, ANW-21823, BBL037642, GEO-03946, SBB046942, SC5013, STK502535, WT1899, AKOS000192188, AS04082, MCULE-2689189621, RTR-053048, VZ24111, 1592-00-3 2-Bromophenyl isocyanate, CJ-01256, PS-10306, SC-58010, SY021825, ZB005421, AB0030054, DB-020736, TR-053048, FT-0611573, I0498, ST50826827, X2242, MFCD00001995 (97%), A24258, W-6169, 111712-EP2284157A1, 111712-EP2298757A2, 627B189, J-009578, I14-48641, InChI=1/C7H4BrNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H, 1-Bromo-3-propanol, 3-Bromo-1-propanol, 3-bromo-propan-1-ol, Trimethylene bromohydrin, 3-Hydroxypropyl bromide, C7H4BrNO, 1-Bromo-3-hydroxypropane, 1-Bromo-4-isocyanatobenzene, CID137097, ZINC00153354, 2-Bromophenyl isocyanate, 97% - 1G 1g, 627-18-9,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.948g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	198.019g/mol
Monoisotopic Mass	196.948g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	29.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H331-H334-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338-P311
UN Code	UN 2206

Certificate of Analysis

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