2-bromopentane

• ChemBase ID: 108352
• Molecular Formular: C5H11Br
• Molecular Mass: 151.04484
• Monoisotopic Mass: 150.00441235
• SMILES: CCCC(C)Br
• Canonical SMILES: CCCC(Br)C
• InChI: InChI=1S/C5H11Br/c1-3-4-5(2)6/h5H,3-4H2,1-2H3
• InChIKey: LGAJYTCRJPCZRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromopentane
• IUPAC Traditional name: 2-bromopentane
• Synonyms: (+/-)-2-Bromopentane; 2-Pentyl Bromide; NSC 7896; 2-Bromopentane, Technical Grade; 2-BROMOPENTANE; (±)-2-Bromopentane; (±)-2-Pentyl bromide; 2-Bromopentane; (±)-2-Bromopentane; (±)-2-溴戊烷; 仲戊基溴; 2-溴戊烷; (±)-2-溴戊烷

Database IDs

• CAS Number: 107-81-3
• EC Number: 203-521-3
• MDL Number: MFCD00000160
• Beilstein Number: 1718829
• PubChem SID: 24891999; 162088899
• PubChem CID: 7890

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.761984
• LogD (pH = 7.4): 2.761984
• Log P: 2.761984
• Molar Refractivity: 32.5882 cm^3
• Polarizability: 12.649618 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ether; Ethyl Acetate; Hexane; Methanol
• Apperance: Colourless Liquid
• Melting Point: -96°C
• Boiling Point: 116-117 °C(lit.); 117-118°C
• Flash Point: 20 °C; 20°C(68°F); 68 °F
• Density: 1.220; 1.223 g/mL at 25 °C(lit.)
• Refractive Index: 1.4403; n20/D 1.441; n20/D 1.441(lit.)
• Hydrophobicity(logP): 3.192

Safety Information

• RTECS: RZ9800000
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 2343; UN2343
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-36/37/38
• Safety Statements: 16-26-29-37; 16-26-36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338; P210-P280G-P273-P305+P351+P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2343 3/PG 2

Product Information

• Purity: ≥95.0% (GC); 95%; tech. 90%
• Grade: purum
• Linear Formula: CH3CH2CH2CHBrCH3

DETAILS

MP Biomedicals - 05207068

MP Biomedicals Rare Chemical collection

Sigma Aldrich - B75204

Other Notes
remainder 3-Bromopentane
Packaging
100, 500 g in glass bottle