carbonyl dichloride

• ChemBase ID: 128948
• Molecular Formular: CCl2O
• Molecular Mass: 98.9161
• Monoisotopic Mass: 97.93261998
• SMILES: ClC(=O)Cl
• Canonical SMILES: ClC(=O)Cl
• InChI: InChI=1S/CCl2O/c2-1(3)4
• InChIKey: YGYAWVDWMABLBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: carbonyl dichloride
• IUPAC Traditional name: phosgene
• Synonyms: CG; carbon dichloride oxide; carbon oxychloride; Chloroformyl chloride; dichloroformaldehyde; dichloromethanone; Phosgene; Phosgene solution; Phosgene; Triphosgene, Cartridge for Phosgene Generation; Cartridge for Phosgene Generation; 光气 溶液; 光气; 三光气，Cartridge for Phosgene Generation; 光气制备药筒

Database IDs

• CAS Number: 75-44-5
• EC Number: 250-986-3; 200-870-3
• MDL Number: MFCD00036119; MFCD00062848
• Beilstein Number: 1098367
• PubChem SID: 24887449; 24885654; 24887450; 24873931; 162223250
• PubChem CID: 6371
• CHEBI ID: 29365
• Chemspider ID: 6131
• Unique Ingredient Identifier: 117K140075
• Wikipedia Title: Phosgene

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3167107
• LogD (pH = 7.4): 1.3167107
• Log P: 1.3167107
• Molar Refractivity: 17.2152 cm^3
• Polarizability: 6.6854787 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: decomposes in water; soluble in benzene, toluene, acetic acid ; decomposes in alcohol and acid
• Apperance: colorless gas
• Melting Point: -118°C
• Boiling Point: 8.3°C
• Flash Point: 39.2 °F; 4 °C; non-flammable
• Density: 0.924 g/mL at 25 °C; 0.935 g/mL at 25 °C; 4.248 g/L (15 °C, gas); 1.432 g/cm^3 (0 °C, liquid)
• Vapor Pressure: 1180 mmHg ( 20 °C)

Safety Information

• RTECS: SY5600000
• European Hazard Symbols: Flammable (F); Toxic (T); Highly toxic (T+)
• UN Number: 1076; 2928; 3384
• German water hazard class: -; 2
• Hazard Class: 2.3; 6.1
• Packing Group: 1; 2
• Risk Statements: 23/24/25-34; 26-34; 63-11-26-34-39/26-65; 63-11-26-34-48/20-65; R26 R34
• Safety Statements: 16-26-28-36/37/39-45-62; 36/37/39-45; 9-26-36/37/39-45; S1/2 S9 S26 S36/37/39 S45
• EU Index: 006-002-00-8
• GHS Pictograms: GHS02; GHS04; GHS05; GHS06; GHS08
• GHS Signal Word: Danger
• NFPA704:
  

  0

  4

  1
• GHS Hazard statements: H225-H304-H314-H330-H336-H361d-H370; H225-H304-H314-H331-H336-H361d-H373; H314-H330
• GHS Precautionary statements: P210-P260-P280-P284-P301 + P310-P305 + P351 + P338; P210-P261-P280-P301 + P310-P305 + P351 + P338-P310; P260-P280-P284-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US); Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1076 2.3; UN 2928 6.1/PG 2; UN 3384 6.1/PG 1
• Storage Temperature: 2-8°C

Pharmacology Properties

• Target Organ: Lungs

Product Information

• Purity: ≥99.0%
• Concentration: ~20% in toluene; 15 wt. % in toluene; 20% in toluene
• Impurities: ≤300 mg/kg benzene
• Linear Formula: COCl2
• Empirical Formula (Hill Notation): C3Cl6O3

DETAILS

Sigma Aldrich - 519758

Application
Phosgene Generation Kit

Sigma Aldrich - 681776

Packaging
100 mL in Sure/Seal™

Sigma Aldrich - 519766

Application
Phosgene Generation Kit

Sigma Aldrich - 748684

Packaging
4×25, 100 mL in Sure/Seal™

Sigma Aldrich - 79372

Other Notes
Sales restrictions may apply
Packaging
Cylinder with net ~500 g