2-chloropentane

• ChemBase ID: 108870
• Molecular Formular: C5H11Cl
• Molecular Mass: 106.59384
• Monoisotopic Mass: 106.05492803
• SMILES: CCCC(C)Cl
• Canonical SMILES: CCCC(Cl)C
• InChI: InChI=1S/C5H11Cl/c1-3-4-5(2)6/h5H,3-4H2,1-2H3
• InChIKey: NFRKUDYZEVQXTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloropentane
• IUPAC Traditional name: 2-chloropentane
• Synonyms: sec-AMYL CHLORIDE; 2-Chloropentane; 2-氯戊烷

Database IDs

• CAS Number: 625-29-6
• EC Number: 210-885-7
• MDL Number: MFCD00018875
• PubChem SID: 162094196; 24871250
• PubChem CID: 12245

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.5764887
• LogD (pH = 7.4): 2.5764887
• Log P: 2.5764887
• Molar Refractivity: 29.6047 cm^3
• Polarizability: 11.75421 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 94-95 °C/747 mmHg(lit.)
• Flash Point: 1 °C; 33.8 °F
• Density: 0.87 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.407(lit.)

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 1107
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-20/21/22
• Safety Statements: 9-29
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H312-H332
• GHS Precautionary statements: P210-P280
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1107 3/PG 2

Product Information

• Purity: 95%
• Linear Formula: CH3CH2CH2CH(Cl)CH3

DETAILS

MP Biomedicals - 05209044

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 476404

Packaging
25 mL in glass bottle