1-chlorododecane

• ChemBase ID: 110253
• Molecular Formular: C12H25Cl
• Molecular Mass: 204.7799
• Monoisotopic Mass: 204.16447848
• SMILES: CCCCCCCCCCCCCl
• Canonical SMILES: CCCCCCCCCCCCCl
• InChI: InChI=1S/C12H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
• InChIKey: YAYNEUUHHLGGAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chlorododecane
• IUPAC Traditional name: 1-chlorododecane
• Synonyms: n-DODECYL CHLORIDE; Dodecyl chloride; Lauryl chloride; 1-Chlorododecane; 十二烷基氯; 月桂基氯; 1-氯十二烷

Database IDs

• CAS Number: 112-52-7
• EC Number: 203-981-5
• MDL Number: MFCD00013688
• Beilstein Number: 635778
• PubChem SID: 24854722; 24854725; 162095737
• PubChem CID: 8192

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.716463
• LogD (pH = 7.4): 5.716463
• Log P: 5.716463
• Molar Refractivity: 61.9939 cm^3
• Polarizability: 24.656315 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 130 °C; 266 °F
• Density: 0.867 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.443
• Transition Temperature: solidification point -15--10 °C

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3082
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 40-50/53-66
• Safety Statements: 24-36/37-46-60-61
• GHS Pictograms: GHS08; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H351-H410
• GHS Precautionary statements: P273-P281-P501
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3082 9/PG 3
• Supplemental Hazard Statements: Repeated exposure may cause skin dryness or cracking.

Product Information

• Purity: ≥97.0% (GC); ≥99.5% (GC)
• Linear Formula: CH3(CH2)11Cl

DETAILS

MP Biomedicals - 05214259

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 24498

Packaging
10 mL in glass bottle

Sigma Aldrich - 24500

Packaging
1 L in glass bottle
250 mL in glass bottle