2-bromo-2-methylbutane

• ChemBase ID: 109944
• Molecular Formular: C5H11Br
• Molecular Mass: 151.04484
• Monoisotopic Mass: 150.00441235
• SMILES: CCC(C)(C)Br
• Canonical SMILES: CCC(Br)(C)C
• InChI: InChI=1S/C5H11Br/c1-4-5(2,3)6/h4H2,1-3H3
• InChIKey: JOUWCKCVTDSMHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-2-methylbutane
• IUPAC Traditional name: butane, 2-bromo-2-methyl-
• Synonyms: tert-AMYL BROMIDE; tert-Amyl bromide; 2-Bromo-2-methylbutane; 叔戊基溴; 2-溴-2-甲基丁烷

Database IDs

• CAS Number: 507-36-8
• EC Number: 208-071-1
• MDL Number: MFCD00000127
• PubChem SID: 162095745; 24858542
• PubChem CID: 68180

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.5979922
• LogD (pH = 7.4): 2.5979922
• Log P: 2.5979922
• Molar Refractivity: 32.6254 cm^3
• Polarizability: 12.651173 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 107 °C/735 mmHg(lit.)
• Flash Point: 41 °F; 5 °C
• Density: 1.182 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4423(lit.)

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-36/37/38
• Safety Statements: 16-26-33
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P261-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 1993 3/PG 2

Product Information

• Purity: 95%
• Linear Formula: CH3CH2CBr(CH3)2

DETAILS

MP Biomedicals - 05213121

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 306878

Packaging
5, 100 g in glass bottle