1-bromopropan-2-ol

• ChemBase ID: 109362
• Molecular Formular: C3H7BrO
• Molecular Mass: 138.99108
• Monoisotopic Mass: 137.96802684
• SMILES: CC(O)CBr
• Canonical SMILES: CC(CBr)O
• InChI: InChI=1S/C3H7BrO/c1-3(5)2-4/h3,5H,2H2,1H3
• InChIKey: WEGOLYBUWCMMMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromopropan-2-ol
• IUPAC Traditional name: 2-propanol, 1-bromo-
• Synonyms: 1-BROMO-2-PROPANOL; 1-Bromo-2-propanol; 1-溴-2-丙醇

Database IDs

• CAS Number: 19686-73-8
• EC Number: 243-225-1
• MDL Number: MFCD00004529
• Beilstein Number: 1071195
• PubChem SID: 24854304; 24862809; 162095162
• PubChem CID: 29740

CALCULATED PROPERTIES

• Acid pKa: 14.727897
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.74798304
• LogD (pH = 7.4): 0.74798304
• Log P: 0.74798304
• Molar Refractivity: 25.0069 cm^3
• Polarizability: 9.8021965 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 145-148 °C(lit.)
• Flash Point: 109.4 °F; 43 °C
• Density: 1.53 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.480(lit.)

Safety Information

• RTECS: UA7388000
• European Hazard Symbols: Corrosive (C)
• UN Number: 2920
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 10-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-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 2920 8/PG 2

Product Information

• Purity: 70%
• Grade: analytical standard; technical grade
• Description: technical mixture
• Linear Formula: CH3CH(OH)CH2Br

DETAILS

MP Biomedicals - 05210783

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 238430

Other Notes
remainder 2-bromo-1-propanol
Packaging
10, 50 g in glass bottle