chloromethane

• ChemBase ID: 126531
• Molecular Formular: CH3Cl
• Molecular Mass: 50.48752
• Monoisotopic Mass: 49.99232778
• SMILES: CCl
• Canonical SMILES: CCl
• InChI: InChI=1S/CH3Cl/c1-2/h1H3
• InChIKey: NEHMKBQYUWJMIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chloromethane
• IUPAC Traditional name: methyl chloride
• Synonyms: Chloromethane; Artic; Freon 40; R 40; Methyl chloride; Monochloromethane; Chloromethane; Chloromethane solution; 甲基氯; 氯甲烷; 氯甲烷 溶液

Database IDs

• CAS Number: 74-87-3
• EC Number: 200-659-6; 200-817-4
• MDL Number: MFCD00000872
• Beilstein Number: 1696839
• PubChem SID: 24857791; 24857738; 162220863; 24871977; 24884578; 24860670
• PubChem CID: 6327
• CHEBI ID: 36014
• CHEMBL: 117545
• Chemspider ID: 6087
• Gmelin ID: 24898
• KEGG ID: C19446
• MeSH Name: Methyl+Chloride
• Unique Ingredient Identifier: A6R43525YO
• Wikipedia Title: Chloromethane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.8360148
• LogD (pH = 7.4): 0.8360148
• Log P: 0.8360148
• Molar Refractivity: 11.3123 cm^3
• Polarizability: 4.4298444 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 5.325 g L^-1 in water
• Apperance: Colorless gas
• Melting Point: -97 °C(lit.); -97.4°C
• Boiling Point: -23.8°C; -24.2 °C(lit.)
• Flash Point: -20 °C; -29.2 °F; -34 °C; -40 °C; -40 °F; 48.2 °F; 9 °C
• Auto Ignition Point: 1169 °F; 625 °C
• Density: 0.742 g/mL at 25 °C; 0.765 g/mL at 25 °C; 0.915 g/mL at 25 °C(lit.); 1.003 g/mL (-23.8 °C, liquid)2.3065 g/L (0 °C, gas)
• Vapor Pressure: 3796 mmHg ( 20 °C); 506.09 kPa (at 20.0 °C)
• Vapor Density: 1.74 (vs air)
• Partition Coefficient: 1.113
• Henry Constant: 940 nmol Pa^-1 kg^-1
• Std enthalpy of combustion: -764.5–-763.5 kJ mol^-1
• Std enthalpy of formation: -83.68 kJ mol^-1
• Std molar entropy: 234.36 J K^-1 mol^-1

Safety Information

• RTECS: PA6300000
• European Hazard Symbols: Flammable (F); Highly flammable (F+); Toxic (T); Harmful (Xn)
• UN Number: 1063; 1230; 1993
• German water hazard class: 1; 2
• Hazard Class: 2.1; 3
• Packing Group: 1; 2
• Risk Statements: 11-23/24/25-39/23/24/25; 11-38-40; 12-19-22-40-66-67; 12-40-48/20; r12, r40, r48/20
• Safety Statements: 16-36/37; 7-16-36/37-45; 9-16-33-36/37; s2, s16, s33
• EU Index: 602-001-00-7
• GHS Pictograms: GHS flame; GHS health hazard; GHS02; GHS04; GHS06; GHS07; GHS08
• GHS Signal Word: DANGER; Danger
• NFPA704:
  

  4

  2

  0
• LD50: 1800 mg/kg (oral, rat); 5.3 mg/L/4 h (inhalation, rat)
• Explode Limits: 19 %; 7–19%
• GHS Hazard statements: 220, 351, 373; H220-H280-H351-H373; H224-H301 + H311 + H331-H370; H224-H302-H336-H351; H225-H315-H351
• GHS Precautionary statements: 210, 281, 410+403; P210-P260-P280-P301 + P310-P311; P210-P261-P281; P210-P281; P210-P281-P410 + P403
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US); Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1063 2.1; UN 1230 2.1/PG 2; UN 1993 3/PG 1
• Supplemental Hazard Statements: May form explosive peroxides., Repeated exposure may cause skin dryness or cracking.
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99.5%; ≥99.8%
• Concentration: 1.0 M in diethyl ether; 1.0 M in tert-butyl methyl ether; 200 μg/mL in methanol
• Grade: analytical standard; anhydrous; purum
• Packaging: ampule of 1 mL
• Impurities: <0.005% water; ≤0.005% water
• Empirical Formula (Hill Notation): CH3Cl

DETAILS

Sigma Aldrich - 295507

Packaging
1.8 kg in Sure-Pac™
100, 500 g in Sure-Pac™
Recommended products
Brass hose adapter Z146811 or brass body mini gas regulator Z513539 is recommended.

Sigma Aldrich - 294799

General description
anhydrous,
Packaging
200 mL in Sure-Pac™
Recommended products
Angled septum-inlet adapter Z118206 or straight septum-inlet adapter, 6mm I.D. inlet, Z118141 or straight septum-inlet adapter, 13mm I.D. inlet, Z118192 is recommended.

Sigma Aldrich - 339725

Packaging
200 mL in Sure-Pac™
Recommended products
Angled septum-inlet adapter Z118206 or straight septum-inlet adapter, 6mm I.D. inlet, Z118141 or straight septum-inlet adapter, 13mm I.D. inlet, Z118192 is recommended.

Sigma Aldrich - 66222

Other Notes
Sales restrictions may apply
Packaging
Cylinder with net ~1.6 kg