(1Z)-1-bromoprop-1-ene

• ChemBase ID: 140067
• Molecular Formular: C3H5Br
• Molecular Mass: 120.9758
• Monoisotopic Mass: 119.95746216
• SMILES: C(=C\Br)\C
• Canonical SMILES: C/C=C\Br
• InChI: InChI=1S/C3H5Br/c1-2-3-4/h2-3H,1H3/b3-2-
• InChIKey: NNQDMQVWOWCVEM-IHWYPQMZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1Z)-1-bromoprop-1-ene
• IUPAC Traditional name: (1Z)-1-bromoprop-1-ene
• Synonyms: cis-1-Bromo-1-propene; 顺式-1-溴-1-丙烯; 顺-1-溴-1-丙烯

Database IDs

• CAS Number: 590-13-6
• MDL Number: MFCD00082571
• PubChem SID: 24862924; 162234311
• PubChem CID: 643834

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9753494
• LogD (pH = 7.4): 1.9753494
• Log P: 1.9753494
• Molar Refractivity: 23.2689 cm^3
• Polarizability: 8.817462 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 58 °C(lit.); 58°C
• Flash Point: -29.2 °F; -34 °C; -34°C(-30°F)
• Density: 1.423; 1.423 g/mL at 25 °C(lit.)
• Refractive Index: 1.4545; n20/D 1.4545(lit.)

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-36/37/38
• Safety Statements: 16-26-36/37/39; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1993 3/PG 2

Product Information

• Purity: 97%; 98%, stab. with copper
• Contains: copper as stabilizer
• Linear Formula: CH3CH=CHBr

DETAILS

Sigma Aldrich - 368679

Packaging
10, 50 g in ampule