3-chloroprop-1-yne

• ChemBase ID: 87367
• Molecular Formular: C3H3Cl
• Molecular Mass: 74.50892
• Monoisotopic Mass: 73.99232778
• SMILES: ClCC#C
• Canonical SMILES: ClCC#C
• InChI: InChI=1S/C3H3Cl/c1-2-3-4/h1H,3H2
• InChIKey: LJZPPWWHKPGCHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloroprop-1-yne
• IUPAC Traditional name: propargyl chloride
• Synonyms: Propargyl chloride; 3-Chloroprop-1-yne 65% solution in toluene; 3-Chloroprop-1-yne 97%; 3-Chloropropyne; 1-Chloro-2-propyne; 2-Propynyl chloride; Gamma-Chloroallylene; UN 2345; Propargyl chloride; 3-CHLOROPROPYNE-1; 3-Chloro-1-propyne; Propargyl chloride solution; Propargyl chloride; 3-氯丙炔; 炔丙氯 溶液; 炔丙氯

Database IDs

• CAS Number: 624-65-7
• EC Number: 210-856-9
• MDL Number: MFCD00000980
• Beilstein Number: 506005
• PubChem SID: 162074472; 24848620; 24863662
• PubChem CID: 12221
• Chemspider ID: 21112738
• Wikipedia Title: Propargyl_chloride

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.0640979
• LogD (pH = 7.4): 1.0640979
• Log P: 1.0640979
• Molar Refractivity: 18.8925 cm^3
• Polarizability: 7.0000663 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Insoluble in water
• Apperance: Clear to brown liquid
• Melting Point: -78°C
• Boiling Point: 57°C; 58 °C(lit.); 58°C
• Flash Point: -14 °C; 18 °C; -18°C; 19 °C; 19°C; 66.2 °F; 7 °F
• Density: 0.963 g/mL at 25 °C; 1.03; 1.03 g/mL at 25 °C(lit.); 1.0306 g/cm3
• Refractive Index: 1.435; n20/D 1.435(lit.); n20/D 1.456

Safety Information

• Storage Warning: Highly Flammable/Toxic/Corrosive/Keep Cold
• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 3286
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-23/24/25-34; R23/24/25 R34
• Safety Statements: 16-26-27-36/37/39-45; 16-26-36/37/39-45; S16 S23 S24/25 S36/37 S39 S45
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• NFPA704:
  

  3

  3

  1
• GHS Hazard statements: H225-H301-H311-H314-H331
• GHS Precautionary statements: P210-P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 3286 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%
• Concentration: 70 wt. % in toluene
• Linear Formula: HC≡CCH2Cl

DETAILS

MP Biomedicals - 05202651

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 384321

Packaging
100 mL in glass bottle

Sigma Aldrich - 143995

Packaging
5, 25 g in glass bottle