Product Name

  • Name

    Chlorobutanol

  • EINECS 215-305-6
  • CAS No. 1320-66-7
  • Density 1.404g/cm3
  • Solubility
  • Melting Point 97oC
  • Formula C4H9ClO
  • Boiling Point 167oC at 760 mmHg
  • Molecular Weight 177.46
  • Flash Point 61.8oC
  • Transport Information
  • Appearance Colorless crystals
  • Safety 26-36/37/39
  • Risk Codes 22-36/37/38
  • Molecular Structure Molecular Structure of 1320-66-7 (Chlorobutanol)
  • Hazard Symbols R22:Harmful if swallowed.; R36/37/38:Irritating to eyes, respiratory system and skin.;
  • Synonyms Butenechlorohydrin;
  • PSA 20.23000
  • LogP 2.12750

Chlorobutanol Chemical Properties

Molecular Structure of Chlorobutanol (CAS NO.57-15-8):

IUPAC Name: 1,1,1-trichloro-2-methylpropan-2-ol
CAS Number: 57-15-8
Molecular Formula: C4H7Cl3O
Molecular Weight: 177.46
H bond acceptors: 1
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 20.23Å2
Index of Refraction: 1.491
Molar Refractivity: 36.59 cm3
Molar Volume: 126.3 cm3
Surface Tension: 37.9 dyne/cm
Enthalpy of Vaporization: 46.98 kJ/mol
Vapour Pressure: 0.574 mmHg at 25°C
Density: 1.404g/cm3
Melting Point: -78°C
Boiling Point: 167 °C at 760 mmHg
Flash Point: 61.8 °C
Stability:Stable. Generates toxic fumes on combustion. 
InChI
InChI=1/C4H7Cl3O/c1-3(2,8)4(5,6)7/h8H,1-2H3
Smiles
C(C(Cl)(Cl)Cl)(C)(C)
Classification Code: Drug / Therapeutic Agent; Mutation data; Pharmaceutic Aids; Pharmaceutic aid [antimicrobial agent]; Preservatives, pharmaceutical; Reproductive Effect; Skin / Eye Irritant

Chlorobutanol Toxicity Data With Reference

1.    

skn-rbt 850 µg MLD

     XEURAQ    U.S. Atomic Energy Commission, University of Rochester, Research and Development Reports. (Rochester, NY) MDDC-1715
2.    

eye-rbt 9180 µg/30 S MLD

     XEURAQ    U.S. Atomic Energy Commission, University of Rochester, Research and Development Reports. (Rochester, NY) MDDC-1715
3.    

mmo-sat 20 µmol/plate

     MUREAV    Mutation Research. 90 (1981),91.
4.    

cyt-smc 10 mmol/tube

     HEREAY    Hereditas. 33 (1947),457.
5.    

orl-dog LDLo:238 mg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 8 (1901),77.
6.    

orl-rbt LDLo:213 mg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 8 (1901),77.
7.    

par-frg LDLo:800 mg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 8 (1901),77.

Chlorobutanol Consensus Reports

Reported in EPA TSCA Inventory.

Chlorobutanol Safety Profile

Poison by ingestion. A narcotic. A skin and eye irritant. Mutation data reported. See also CHLORAL HYDRATE, which acts similarly. Dangerous; can react with oxidizing materials. Combustible when exposed to heat or flame. When heated to decomposition it emits toxic fumes of Cl−. See also PHOSGENE.

Chlorobutanol Specification

  Chlorobutanol , with CAS number of 57-15-8, can be called 1,1,1-Trichloro-tert-butyl alcohol ; 2,2,2-Trichloro-1,1-dimethylethanol ; 2-(Trichloromethyl)-2-propanol ; Acetochlorone ; Anhydrous chlorobutanol ; b,b,b-Trichloro-tert-butyl alcohol ; Trichloro-tert-butyl alcohol . Chlorobutanol (CAS NO.57-15-8) is mainly used for anti-emetics, local analgesic as pharmaceutical raw materials.Besides, it can be used as sterilization. It can also be used for organic synthesis.

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