Chlorobutanol hemihydrate | CAS No. 6001-64-5

Chlorobutanol hemihydrate

Basic Information

CAS Number

6001-64-5

Molecular Formula

C8H16Cl6O3

Molecular Weight

372.93 g/mol

AD

Basic Physical Properties

Melting Point

78°C

Boiling Point

173-175 °C

Water Solubility

Soluble in ethanol, ether, chloroform, and glycerol. Insoluble in water.

CC(C)(C(Cl)(Cl)Cl)O.CC(C)(C(Cl)(Cl)Cl)O.O

InChI

InChI=1S/2C4H7Cl3O.H2O/c2*1-3(2,8)4(5,6)7;/h2*8H,1-2H3;1H2

InChIKey

WRWLCXJYIMRJIN-UHFFFAOYSA-N

LogP

3.430300000000001

Topological Polar Surface Area

71.96000000000001 Ų

Hydrogen Bond Donor/Acceptor

4 / 3

Complexity

83.8

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

  • DTXSID9022235
  • 3X4P6271OX
  • 1,1,1-trichloro-2-methylpropan-2-ol hydrate
  • 1,1,1-Trichloro-2-methyl-2-propanol (hydrate) (2:1)
  • 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate
  • AKOS016015222
  • Acetonchloroform hemihydrate
  • Chlorbutanol Hemihydrate
  • Chlorobutanol hemihydrate
  • 2-Propanol, 1,1,1-trichloro-2-methyl-, hydrate (2:1)
  • Acetone chloroform, Chloretone
  • A917946
  • NS00134275
  • Chlorobutanol, Pharmaceutical Secondary Standard; Certified Reference Material
  • 1,1,1-trichloro-2-methylpropan-2-ol;hydrate
  • CHLOROBUTANOL HEMIHYDRATE [WHO-DD]
  • 1,1,1-TRICHLORO-2-METHYL-2-PROPANOLHEMIHYDRATE
  • 2-Propanol, 1,1,1-trichloro-2-methyl-, hemihydrate (8CI); 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate; Chlorobutanol hemihydrate
  • RP10184
  • SCHEMBL466638
  • beta,beta,beta-Trichloro-t-butanol
  • 1,1,1-trichloro-2-methyl-2-propanol(hydrate) (2:1)
  • UNII-3X4P6271OX
  • bis(1,1,1-trichloro-2-methylpropan-2-ol) hydrate
  • Q27258164
  • 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate, meets analytical specification of Ph.??Eur., BP, NF, 98-100.5% (calc with ref. to anhyd. subst.)
  • CHLOROBUTANOL HEMIHYDRATE [WHO-IP]
  • CHLOROBUTANOL HEMIHYDRATE [II]
  • NSC-760101
  • MFCD02179352
  • NSC 760101

MDL Number

MFCD02179352

Customs Code

29055900

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