1-bromo-4-ethylbenzene

• ChemBase ID: 6853
• Molecular Formular: C8H9Br
• Molecular Mass: 185.06106
• Monoisotopic Mass: 183.98876229
• SMILES: c1c(ccc(c1)CC)Br
• Canonical SMILES: CCc1ccc(cc1)Br
• InChI: InChI=1S/C8H9Br/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3
• InChIKey: URFPRAHGGBYNPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-4-ethylbenzene
• IUPAC Traditional name: 1-bromo-4-ethylbenzene
• Synonyms: 1-Bromo-4-ethylbenzene; 4-Bromoethylbenzene; 4-Ethyl-1-bromobenzene; 4-Ethylbromobenzene; 4-Ethylphenyl Bromide; NSC 60144; p-Bromoethylbenzene; p-Ethylbromobenzene; p-Ethylphenyl Bromide; p-BROMOETHYLBENZENE; 1-Bromo-4-ethylbenzene; 1-Bromo-4-ethylbenzene; 4-Ethylbromobenzene; 1-溴-4-乙基苯

Database IDs

• CAS Number: 1585-07-5
• EC Number: 216-439-8
• MDL Number: MFCD00000111
• Beilstein Number: 1856989
• PubChem SID: 160970160; 24847031
• PubChem CID: 15313

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6999886
• LogD (pH = 7.4): 3.6999886
• Log P: 3.6999886
• Molar Refractivity: 43.323 cm^3
• Polarizability: 16.654388 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 203-204°C; 203-204°C; 204 °C(lit.); 204°C
• Flash Point: 145.4 °F; 63 °C; 63°C; 63°C(145°F)
• Density: 1.341; 1.343; 1.343 g/mL at 25 °C(lit.)
• Refractive Index: 1.544; 1.5440; n20/D 1.544(lit.)

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; R:36/37/38
• Safety Statements: 26-37; S:20-25-26-37/39
• TSCA Listed: true; 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%; 98%; 99%
• Linear Formula: C2H5C6H4Br

DETAILS

MP Biomedicals - 05207371

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 111414

Packaging
10, 50 g in glass bottle

Toronto Research Chemicals - B684295

1-Bromo-4-ethylbenzene is organo bromide with flame retardant properties.

REFERENCES

• Day, M. et al.: J. Fire Sci., 1, 255 (1983)