1-bromo-2-ethenylbenzene

• ChemBase ID: 9968
• Molecular Formular: C8H7Br
• Molecular Mass: 183.04518
• Monoisotopic Mass: 181.97311222
• SMILES: c1ccc(c(c1)C=C)Br
• Canonical SMILES: C=Cc1ccccc1Br
• InChI: InChI=1S/C8H7Br/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2
• InChIKey: SSZOCHFYWWVSAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2-ethenylbenzene
• IUPAC Traditional name: 2-bromostyrene
• Synonyms: 2-Bromostyrene; 2-Bromostyrene; 1-Bromo-2-vinylbenzene; 1-Bromo-2-ethenylbenzene; 2-Bromostyrene 97+%; 2-Vinyl-1-bromobenzene; 2-Vinylphenyl bromide; o-Bromostyrene; o-Bromovinylbenzene; 2-溴苯乙烯

Database IDs

• CAS Number: 2039-88-5
• EC Number: 218-027-3
• MDL Number: MFCD00000076
• Beilstein Number: 2323537
• PubChem SID: 160973275; 24848066
• PubChem CID: 16264

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.4787004
• LogD (pH = 7.4): 3.4787004
• Log P: 3.4787004
• Molar Refractivity: 43.3671 cm^3
• Polarizability: 16.54746 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -53°C
• Boiling Point: 102-104 °C/22 mmHg(lit.); 102-104°C/22mm; 102-104°C/22mm
• Flash Point: 186.8 °F; 85°C(185°F); 86 °C
• Density: 1.416; 1.416 g/mL at 20 °C; 1.4160; 1.46; 1.46 g/mL at 25 °C(lit.)
• Refractive Index: 1.5920; 1.5927; n20/D 1.592; n20/D 1.592(lit.)

Safety Information

• Storage Warning: IRRITANT, KEEP COLD, STORED UNDER ARGON; Irritant/Keep Cold
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95.0% (GC); 97%; 97%, stab. with ca 0.05% 4-tert-butylcatechol; 98%
• Grade: purum
• Contains: ~0.05% 4-tert-butylcatechol as stabilizer; 0.1% 3,5-di-tert-butylcatechol as inhibitor
• Linear Formula: H2C=CHC6H4Br

DETAILS

Apollo Scientific Ltd - OR3099

Stabilised with 0.1% 3,5-Di-tert-Butylcatechol

Sigma Aldrich - 132683

Packaging
1, 5 g in glass bottle

Toronto Research Chemicals - B686990

2-Bromostyrene is used as a cross linking agent in fire-resistant bromostyrene-crosslinked polyesters.

REFERENCES

• Prins, M. et al.: J. Appl. Polym. Sci., 20, 2971 (1976)
• Marom, G. et al.: Polim. Vehom. Plast., 7, 21 (1976)