2-bromobenzaldehyde

• ChemBase ID: 70257
• Molecular Formular: C7H5BrO
• Molecular Mass: 185.018
• Monoisotopic Mass: 183.95237678
• SMILES: C(=O)c1c(cccc1)Br
• Canonical SMILES: O=Cc1ccccc1Br
• InChI: InChI=1S/C7H5BrO/c8-7-4-2-1-3-6(7)5-9/h1-5H
• InChIKey: NDOPHXWIAZIXPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromobenzaldehyde
• IUPAC Traditional name: benzaldehyde, 2-bromo-
• Synonyms: o-Bromobenzaldehyde; 2-Formylbromobenzene; 2-Bromobenzaldehyde; 2-Bromobenzaldehyde; 2-溴苯甲醛

Database IDs

• CAS Number: 6630-33-7
• EC Number: 229-622-2
• MDL Number: MFCD00003300
• Beilstein Number: 636132
• PubChem SID: 24891854; 24850007; 162035980
• PubChem CID: 81129

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4545007
• LogD (pH = 7.4): 2.4545007
• Log P: 2.4545007
• Molar Refractivity: 40.2648 cm^3
• Polarizability: 15.05442 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 16-19 °C(lit.); 16-21°C; 18-21°C
• Boiling Point: 228-230°C; 228-230°C; 230 °C(lit.)
• Flash Point: 203 °F; 95 °C; 95°C; 95°C(203°F)
• Density: 1.585; 1.585 g/mL at 25 °C(lit.); 1.597
• Refractive Index: 1.595; 1.5960; n20/D 1.595; n20/D 1.595(lit.)

Safety Information

• Storage Warning: Air Sensitive; Harmful/Irritant/Light Sensitive/Air Sensitive/Store under Argon; IRRITANT
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 22-36/38; 36/37/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280H-P305+P351+P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.0% (GC); 95+%; 98%
• Grade: purum
• Linear Formula: BrC6H4CHO

DETAILS

MP Biomedicals - 05205348

MP Biomedicals Rare Chemical collection

Sigma Aldrich - B57001

Packaging
10, 25 g in glass bottle