AG00297D

2039-86-3 | Benzene, 1-bromo-3-ethenyl-

AG00297D

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CAS Number	2039-86-3
Catalog Number	AG00297D(AGN-PC-0JLBWF)
Chemical Name	Benzene, 1-bromo-3-ethenyl-
EC Number	218-025-2
IUPAC Name	1-bromo-3-ethenylbenzene
InChI	InChI=1S/C8H7Br/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
InChI Key	KQJQPCJDKBKSLV-UHFFFAOYSA-N
MDL Number	MFCD00000088
Molecular Formula	C8H7Br
Molecular Weight	183.0452
SMILES	BrC1=CC(=CC=C1)C=C
UNII	6XE3SF241Y
Synonyms	3-Bromostyrene, 1-Bromo-3-vinylbenzene, 2039-86-3, 1-bromo-3-ethenylbenzene, m-Bromostyrene, Benzene, 1-bromo-3-ethenyl-, 1-bromo-3-vinyl-benzene, UNII-6XE3SF241Y, MFCD00000088, 6XE3SF241Y, KQJQPCJDKBKSLV-UHFFFAOYSA-N, 3-Bromostyrene, 97%, stabilized, 3-Bromo-styrene, EINECS 218-025-2, B-BROMOSTYRENE, PubChem23859, ACMC-1CMDC, AC1L2MTG, 1-Bromo-3-vinylbenzene #, AC1Q25KV, 3-BrC6H4CH=CH2, SCHEMBL50668, Benzene,1-bromo-3-ethenyl-, EMOLECULES 480711, SCHEMBL13158913, CTK4E4115, KS-00000KFT, DTXSID60174332, ACN-S004575, ZINC1852608, 0458AB, ANW-74246, BBL101978, STL555775, AKOS009156768, AS03805, CS-W015997, LS11651, MCULE-9843436148, VZ26521, AJ-32101, AK-76367, AN-50313, BC004981, CJ-30587, DS-16663, SC-45876, AB0068464, DB-045203, ST2415241, TR-033248, FT-0615255, ST50331780, K-5947, 039B863, I01-10523, 3-Bromostyrene stabilized with 100ppm 4-tert-Butylcatechol, UNII-L50CQ41322 component KQJQPCJDKBKSLV-UHFFFAOYSA-N, InChI=1/C8H7Br/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H, 3-Bromostyrene, 97%, contains 0.1% 3,5-di-tert-butylcatechol as inhibitor, Styrene, m-bromo-, C8H7Br, C8-H7-Br, 3-Bromostyrene, 97% - 1G 1g, CID74870, AR-1C1979, B1897, 20811-88-5,

Complexity	98.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.973g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	183.048g/mol
Monoisotopic Mass	181.973g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number