1-bromotridecane

• ChemBase ID: 109365
• Molecular Formular: C13H27Br
• Molecular Mass: 263.25748
• Monoisotopic Mass: 262.12961286
• SMILES: CCCCCCCCCCCCCBr
• Canonical SMILES: CCCCCCCCCCCCCBr
• InChI: InChI=1S/C13H27Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-13H2,1H3
• InChIKey: BFDNZQUBFCYTIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromotridecane
• IUPAC Traditional name: 1-bromo-N-tridecane
• Synonyms: 1-BROMOTRIDECANE; Tridecyl bromide; 1-Bromotridecane; 十三烷基溴; 1-溴十三烷

Database IDs

• CAS Number: 765-09-3
• EC Number: 212-138-0
• MDL Number: MFCD00000227
• Beilstein Number: 1739992
• PubChem SID: 24851136; 24851548; 162089306
• PubChem CID: 13000

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.346527
• LogD (pH = 7.4): 6.346527
• Log P: 6.346527
• Molar Refractivity: 69.5784 cm^3
• Polarizability: 27.241514 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 4-7 °C(lit.)
• Boiling Point: 148-150 °C/10 mmHg(lit.)
• Flash Point: >110 °C; >230 °F
• Density: 1.03 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.459; n20/D 1.459(lit.)
• Vapor Density: 9.2 (vs air)

Safety Information

• RTECS: YD3100000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41
• Safety Statements: 26-39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥98.0% (GC); 98%
• Grade: technical
• Linear Formula: CH3(CH2)12Br

DETAILS

MP Biomedicals - 05210789

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 192422

Packaging
5, 25 g in glass bottle