1,2,3-tribromopropane

• ChemBase ID: 111458
• Molecular Formular: C3H5Br3
• Molecular Mass: 280.7838
• Monoisotopic Mass: 277.79413616
• SMILES: BrCC(Br)CBr
• Canonical SMILES: BrCC(CBr)Br
• InChI: InChI=1S/C3H5Br3/c4-1-3(6)2-5/h3H,1-2H2
• InChIKey: FHCLGDLYRUPKAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3-tribromopropane
• IUPAC Traditional name: 1,2,3-tribromopropane
• Synonyms: 1,2,3-TRIBROMOPROPANE; Glyceryl tribromohydrin; sym-Tribromopropane; 1,2,3-Tribromopropane; 1,2,3-三溴丙烷

Database IDs

• CAS Number: 96-11-7
• EC Number: 202-478-8
• MDL Number: MFCD00017884
• Beilstein Number: 1732082
• Merck Index: 149614
• PubChem SID: 162103315; 24848905
• PubChem CID: 7279
• CHEBI ID: 18859
• Chemspider ID: 7007
• Gmelin ID: 101184
• Wikipedia Title: 1,2,3-Tribromopropane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7812474
• LogD (pH = 7.4): 2.7812474
• Log P: 2.7812474
• Molar Refractivity: 38.6196 cm^3
• Polarizability: 15.385066 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colorless liquid
• Melting Point: 16.15°C (289.3K); 16-17 °C(lit.); 16-17°C
• Boiling Point: 220 °C(lit.); 220.05°C (493.2K); 220°C
• Flash Point: 199.4 °F; 93 °C; 93°C (199.4°F); 93°C(199°F)
• Density: 2.398; 2.398 g mL^-1; 2.398 g/mL at 25 °C(lit.)
• Refractive Index: 1.584; 1.5850; n20/D 1.584(lit.)
• Heat Capacity: 166.5 J K^-1 mol^-1

Safety Information

• RTECS: TZ8300000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38-40; 22-36/38-68; R20/21/22, R36/37/38, R40
• Safety Statements: 26-27-36/37/39; 26-36/37; S26, S27, S36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS exclamation mark; GHS health hazard; GHS06; GHS07; GHS08
• GHS Signal Word: WARNING; Warning
• GHS Hazard statements: 302, 312, 315, 319, 332, 335, 351; H301-H315-H319-H341-H227; H302-H312-H315-H319-H332-H335-H351
• GHS Precautionary statements: 261, 280, 305+351+338; P210-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%; 98%
• Linear Formula: BrCH2CH(Br)CH2Br

DETAILS

MP Biomedicals - 05219280

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 148474

Packaging
100 g in glass bottle