2-chloropropane

• ChemBase ID: 127911
• Molecular Formular: C3H7Cl
• Molecular Mass: 78.54068
• Monoisotopic Mass: 78.0236279
• SMILES: CC(Cl)C
• Canonical SMILES: CC(Cl)C
• InChI: InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3
• InChIKey: ULYZAYCEDJDHCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloropropane
• IUPAC Traditional name: 2-chloropropane
• Synonyms: 2-Chloropropane; chlorodimethylmethane; isopropyl chloride; 2-propylchloride; sec-propyl chloride; Isopropyl chloride; 异丙基氯; 2-氯丙烷

Database IDs

• CAS Number: 75-29-6
• EC Number: 200-858-8
• MDL Number: MFCD00000867
• Beilstein Number: 1730782
• Merck Index: 145211
• PubChem SID: 24892905; 24854424; 24845308; 162222228
• PubChem CID: 6361
• Wikipedia Title: Isopropyl_chloride

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.6093978
• LogD (pH = 7.4): 1.6093978
• Log P: 1.6093978
• Molar Refractivity: 20.4797 cm^3
• Polarizability: 8.080361 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 0.334 g/100 ml at 12.5 °C in water; fully miscible in diethyl ether; fully miscible in ethanol
• Apperance: Colourless liquid
• Melting Point: -117.18°C; -117°C; -118 °C(lit.)
• Boiling Point: 34-36 °C(lit.); 35.74°C; 35-36°C
• Flash Point: -21 °C; -32; -35°C(-31°F); -5.8 °F
• Density: 0.859 g/mL at 25 °C(lit.); 0.860; 0.862
• Refractive Index: 1.3785; 1.3811; n20/D 1.378; n20/D 1.378(lit.)
• Vapor Pressure: 28.11 psi ( 55 °C); 8.59 psi ( 20 °C)
• Absorption Wavelength: λ: 225 nm Amax: 1.0; λ: 240 nm Amax: 0.1; λ: 320 nm Amax: 0.01
• Viscosity: 4.05 cP at 0 °C; 3.589 cP at 20 °C

Safety Information

• RTECS: TX4410000
• European Hazard Symbols: Flammable (F); X; Harmful (Xn)
• UN Number: 2356; UN2356
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 1; I
• Risk Statements: 11-20/21/22; R11 R20 R21 R22
• Safety Statements: 9-29; S9 S29
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06; GHS07
• GHS Signal Word: Danger
• Main Hazard: Possible mutagen. May be harmful by ingestion, inhalation or through skin contact.
• NFPA704:
  

  4

  2

  0
• GHS Hazard statements: H224-H301-H311-H332; H225-H302-H312-H332
• GHS Precautionary statements: P210-P280; P210-P301+P310-P303+P361+P353-P361-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 2356 3/PG 1

Product Information

• Purity: ≥99%; ≥99.5% (GC); ≥99.7% (GC); 99%
• Grade: analytical standard; for HPLC; puriss.
• Evaporation Residue: ≤0.001%
• Impurities: ≤0.1% water
• Shelf Life: (limited shelf life, expiry date on the label)
• Solvent Strength(ε Al2O3): 0.29
• λ: 1 cm path, H2O reference
• Linear Formula: (CH3)2CHCl

DETAILS

Sigma Aldrich - 240613

Packaging
100 mL in glass bottle

Sigma Aldrich - C68563

Packaging
1 L in glass bottle
500 mL in glass bottle