β-Bromostyrene - CAS 103-64-0

Technical Data

IUPAC Name:	[(E)-2-bromoethenyl]benzene
Description:	β-Bromostyrene (CAS# 103-64-0) is a useful research chemical.
Molecular Weight:	183.05
Molecular Formula:	C8H7Br
Canonical SMILES:	C1=CC=C(C=C1)C=CBr
InChI:	InChI=1S/C8H7Br/c9-7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
InChI Key:	YMOONIIMQBGTDU-VOTSOKGWSA-N
Boiling Point:	110-112 °C (20 mmHg)
Melting Point:	7 °C
Flash Point:	79°C
Purity:	95 %
Density:	1.427 g/cm³
Solubility:	water, 107.9 mg/L @ 25 °C (est)
Appearance:	Clear yellowish to brown liquid
Storage:	2-8 °C
Decomposition:	When heated to decomposition it emits toxic fumes of /hydrogen bromide
MDL:	MFCD00000185
LogP:	3.05220
Refractive Index:	1.606-1.609
Vapor Pressure:	0.12 [mmHg]

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113511972-A	(E) Preparation method of (E) -4-aryl-2, 2-difluoro-3-butenoic acid derivative	20210727
CN-112457148-A	Method for synthesizing high-purity MDPES (methyl diphenylsulfone) raw material phenyl acetylene in one step	20201203
CN-112608209-A	Green method for synthesizing MDPES raw material phenylacetylene without solvent	20201203
CN-112441581-A	Purple-root water hyacinth-based graded porous carbon material, preparation method thereof and application thereof in super capacitor	20201125
CN-111646875-A	Method for synthesizing aryl ketone compound by taking TBADT as photocatalyst	20200616

PMID	Publication Date	Title	Journal
22579420	20120615	Total synthesis and dual PPARα/γ agonist effects of amorphastilbol and its synthetic derivatives	Bioorganic & medicinal chemistry letters
21120230	20110207	Gelatin as a bioorganic reductant, ligand and support for palladium nanoparticles. Application as a catalyst for ligand- and amine-free Sonogashira-Hagihara reaction	Organic & biomolecular chemistry
17165724	20061220	Enhanced catalytic properties of copper in O- and N-arylation and vinylation reactions, using phosphorus dendrimers as ligands	Journal of the American Chemical Society
17149866	20061214	Identification of the brominated flame retardant 1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane as an androgen agonist	Journal of medicinal chemistry
17064042	20061027	Pathway for the stereocontrolled Z and E production of alpha,alpha-difluorine-substituted phenyl butenoates	The Journal of organic chemistry

Complexity:	90.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	181.97311
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	181.97311
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9