1-bromo-3-methylbutane

• ChemBase ID: 123406
• Molecular Formular: C5H11Br
• Molecular Mass: 151.04484
• Monoisotopic Mass: 150.00441235
• SMILES: BrCCC(C)C
• Canonical SMILES: BrCCC(C)C
• InChI: InChI=1S/C5H11Br/c1-5(2)3-4-6/h5H,3-4H2,1-2H3
• InChIKey: YXZFFTJAHVMMLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-3-methylbutane
• IUPAC Traditional name: 1-bromo-3-methylbutane
• Synonyms: 1-bromo-3-methylbutane; Isoamyl bromide; Isopentyl bromide; 1-Bromo-3-methylbutane; 异戊基溴; 溴代异戊烷; 1-溴-3-甲基丁烷

Database IDs

• CAS Number: 107-82-4
• EC Number: 203-522-9
• MDL Number: MFCD00000253
• Beilstein Number: 773652
• Merck Index: 145114
• PubChem SID: 162217759; 24847596
• PubChem CID: 7891

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6324282
• LogD (pH = 7.4): 2.6324282
• Log P: 2.6324282
• Molar Refractivity: 32.718 cm^3
• Polarizability: 12.648061 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -112 °C(lit.); -112°C
• Boiling Point: 120-121 °C(lit.); 120-121°C
• Flash Point: 22 °C; 22°C(71°F); 71.6 °F
• Density: 1.208; 1.261 g/mL at 25 °C(lit.)
• Refractive Index: 1.4409; n20/D 1.4409(lit.)

Safety Information

• RTECS: EJ6230000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi); Harmful (Xn)
• UN Number: 2341; UN2341
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-22-37/38-52/53; 10-36/37/38-51/53
• Safety Statements: 23-26-37-57; 61
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H315-H335; H226-H315-H319-H335-H411-H401
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P261
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2341 3/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 96%; 98%
• Linear Formula: (CH3)2CHCH2CH2Br

DETAILS

Sigma Aldrich - 124095

Packaging
5, 100, 500 g in glass bottle