tribromoacetyl chloride

• ChemBase ID: 138191
• Molecular Formular: C2Br3ClO
• Molecular Mass: 315.1858
• Monoisotopic Mass: 311.7187783
• SMILES: C(=O)(C(Br)(Br)Br)Cl
• Canonical SMILES: ClC(=O)C(Br)(Br)Br
• InChI: InChI=1S/C2Br3ClO/c3-2(4,5)1(6)7
• InChIKey: RDBMNMVDVKRYKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tribromoacetyl chloride
• IUPAC Traditional name: tribromoacetyl chloride
• Synonyms: Tribromoacetyl chloride; 三溴乙酰氯

Database IDs

• CAS Number: 34718-47-3
• MDL Number: MFCD00209618
• PubChem SID: 24867039; 162232449
• PubChem CID: 599146

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.513491
• LogD (pH = 7.4): 2.513491
• Log P: 2.513491
• Molar Refractivity: 40.4423 cm^3
• Polarizability: 16.039185 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235.4 °F
• Density: 1.628 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.583(lit.)
• Vapor Pressure: 0.23 psi ( 20 °C)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2927
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1
• Risk Statements: 34
• Safety Statements: 26-27-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2927 6.1/PG 1
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Linear Formula: CBr3COCl

DETAILS

Sigma Aldrich - 431656

Packaging
1, 10 g in glass bottle