1-CHLOROPINACOLONE

PRODUCT IDENTIFICATION
CAS NO. 13547-70-1

1-CHLOROPINACOLONE
EINECS NO.

236-920-6
FORMULA (CH3)3CCOCH2Cl
MOL WT. 134.60

H.S. CODE

 2914.19

TOXICITY

 Oral rat LD50: 550 mg/kg
SYNONYMS 1-chloro-3,3-dimethyl-2-Butanone;
Chloro methyl tert-butyl ketone; tert-Butyl chloromethyl ketone; alpha-Chloropinacolone;
SMILES

 

CLASSIFICATION

  

PHYSICAL AND CHEMICAL PROPERTIES
PHYSICAL STATE clear liquid
MELTING POINT -1 C
BOILING POINT 170 - 173 C
SPECIFIC GRAVITY 1.03
SOLUBILITY IN WATER  
pH  
VAPOR DENSITY

 

REFRACTIVE INDEX

  
AUTOIGNITION

1.441 - 1.443
NFPA RATINGS Health: 3; Flammability: 2; Instability: 0
FLASH POINT

67 C
STABILITY

Stable under ordinary conditions

APPLICATIONS
Pinacol is a vicinal glycol with general formula RR'C(OH)C(OH)R"R'", where two adjacent carbon atoms have -OH groups each. The simplest one is tetramethylethylene glycol, (CH3)2C(OH)C(OH)(CH3)2, when R is methyl group. Tetramethylethylene glycol is called pinacol itself also. [Pinacolyl alcohol (CAS RN: 76-09-5) is not a pinacol but tert-butyl methyl carbinol which has one -OH]. Tetramethylethylene glycol is a white solid soluble in hot water, ethanol and ether, insoluble in cold water; melting point 40 C; boiling point 171 C; specific gravity 0.967 (at 15 C). Pinacol can be prepared by coupling reaction between the carbonyl groups with a magnesium-mercury amalgam. Acetone is converted to tetramethylethylene glycol. The pinacol rearrangement is the reaction of converting a vicinal diol to a ketone (pinacol to pinacolone), migrating an atom or bond in a reactant molecule to a different site in a reaction molecule. Pinacolone is the characteric structue molecule, tert-butyl methylketone. It is used as an intermediate for biologically active products such as antiviral, antibacterial, antifungal and antituberculous.
 

Examples of pinacolyl molecules

  • 1,1-Dibromopinacolone (CAS RN: 30263-65-1)
  • 1-Bromopinacolone (CAS RN: 5469-26-1)
  • 1-Monochloropinacoline (CAS RN: 13547-70-1
  • 2,2,2-Triphenylacetophenone (CAS RN: 466-37-5)
  • 2,5-Dimethyl-3-hexyne-2,5-diol (CAS RN: 142-30-3)
  • 3,4-Diethyl-3,4-hexanediol (CAS RN: 6931-71-1)
  • 5-((2,2-Dimethylpropionyl)methyl)-5-ethylbarbituric acid (CAS RN: 69766-59-2)
  • 5-((2,2-Dimethylpropionyl)methyl)-5-isopentylbarbituric acid (CAS RN: 69766-29-6)
  • 5-Allyl-5-((2,2-dimethylpropionyl)methyl)barbituric acid (CAS RN: 69766-33-2)
  • Benzopinacol (CAS RN: 464-72-2)
  • Bis(pinacolato)diboron (CAS RN: 73183-34-3)
  • Boroval (CAS RN: 94242-92-9)
  • Chlorosoman (CAS RN: 7040-57-5)
  • Dichloropinacolin (CAS RN: 22591-21-5)
  • Diethylstilbestrol pinacolone (CAS RN: 18922-13-9)
  • Dipinacoline glutamate (CAS RN: 123729-01-1)
  • O-p-Aminophenyl O'-pinacolyl methylphosphonate (CAS RN: 52134-57-3)
  • Perfluoropinacol (CAS RN: 918-21-8)
  • Pinacol (CAS RN: 76-09-5)
  • Pinacol monoformate (CAS RN: 65184-58-9)
  • Pinacolone (CAS RN: 75-97-8)
  • Pinacolyl dimethylphosphinate (CAS RN: 92411-69-3)
  • Pinacolyl S-(2-dimethylaminoethyl)methylphosphonothioate (CAS RN: 34388-36-8)
  • Pinacolyl S-(2-trimethylaminoethyl)methylphosphonothioate (CAS RN: 38770-03-5)
  • Pinacolyl methylphosphonic acid (CAS RN: 616-52-4)
  • Poly(dimethyldichlorosilane, benzpinacol) (CAS RN: 70624-20-3)
  • Rhodanpinacolin (CAS RN: 26094-11-1)
  • Soman (CAS RN: 96-64-0)

1-Chloropinacolone is used as an iIntermediate for triazole compounds ( a five-membered ring structure compound contains three nitrogens and two carbons in the ring) which have biological activities such as antiviral, antibacterial, antifungal and antituberculous.
SALES SPECIFICATION

APPEARANCE

 clear to ywllowish liquid

CONTENT

 97.0% min

WATER

1.0% max

DICHLORO IMPURITY

4.0% max
TRANSPORTATION
PACKING

200kgs in drum
HAZARD CLASS 6.1 (Packing Group: II)
UN NO. 2810
OTHER INFORMATION
Hazard Symbols: T+,  Risk Phrases: 22-24-26-36/37/38, Safety Phrases: 28A-36/37/39-38-45