Cas no 6001-64-5 (Chlorobutanol hemihydrate)

Chlorobutanol hemihydrate structure
Chlorobutanol hemihydrate structure
Product Name:Chlorobutanol hemihydrate
CAS No:6001-64-5
MF:C8H16Cl6O3
MW:372.928837776184
MDL:MFCD02179352
CID:46320
PubChem ID:87576344
Update Time:2025-09-22

Chlorobutanol hemihydrate Chemical and Physical Properties

Names and Identifiers

    • 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate
    • MET
    • MET HEMIHYDRATE
    • CHLOROBUTANOL HEMIHYDRATE
    • CHLOROBUTO HEMIHYDRATE
    • CHLORETONE
    • CHLORETONE 0.5-WATER
    • CHLORETONE HEMIHYDRATE
    • CHLORBUTE
    • 1,1,1-TRICHLORO-2-METHYL-2-PROPANOL HEMIHYDRATE PH EUR BP JP NF
    • 1.1.1-Trichloro-2-methyl-2-propanolhydrate
    • Chlorbutanol Hemihydrate
    • Chlorobutanol
    • β,β,β-Trichloro-t-butanol
    • Acetonechloroform Hemihydrate
    • β,β,β-Trichloro-tert-butyl Alcohol Hemihydrate
    • Chlorbutol
    • 1,1,1-Trichloro-2-methyl-2-propanol
    • Chloreton
    • Acetonchloroform
    • Acetochlorone
    • Chlorbutanol
    • Acetone chloroform
    • Coliquifilm
    • Methaform
    • Clortran
    • Sedaform
    • Khloreton
    • Dentalone
    • Chlortran
    • 1,1,1-trichloro-2-methylpropan-2-ol
    • Anhydrous chlorobutanol
    • Trichlorisobutylalcohol
    • Trichloro-tert-butanol
    • Chlorobutanol, anhydrous
    • Chlorbutanolum
    • Chlorbutolum
    • 2-Propanol, 1,1,1-trichloro-2-methyl-
    • Trichloro-t-butyl alcohol
    • 2-(Trichloromethyl)-2-propanol
    • Caswell No. 185
    • 1,1,1-
    • Chlorobutanol, United States Pharmacopeia (USP) Reference Standard
    • NSC 760101
    • 1,1,1-TRICHLORO-2-METHYL-2-PROPANOLHEMIHYDRATE
    • AKOS016015222
    • NS00134275
    • beta,beta,beta-Trichloro-t-butanol
    • UNII-3X4P6271OX
    • CHLOROBUTANOL HEMIHYDRATE [WHO-DD]
    • 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate, PESTANAL(R), analytical standard
    • NSC-760101
    • A917946
    • 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]
    • 2-Propanol, 1,1,1-trichloro-2-methyl-, hydrate (2:1)
    • Acetone chloroform, Chloretone
    • Q27258164
    • 2-Propanol, 1,1,1-trichloro-2-methyl-, hemihydrate
    • Acetonchloroform hemihydrate
    • 1,1,1-trichloro-2-methyl-2-propanol(hydrate) (2:1)
    • SCHEMBL466638
    • bis(1,1,1-trichloro-2-methylpropan-2-ol) hydrate
    • MFCD02179352
    • 3X4P6271OX
    • 6001-64-5
    • 1,1,1-trichloro-2-methylpropan-2-ol;hydrate
    • CHLOROBUTANOL HEMIHYDRATE [EP MONOGRAPH]
    • CHLOROBUTANOL HEMIHYDRATE [II]
    • 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate, 98%
    • 1,1,1-trichloro-2-methylpropan-2-ol hydrate
    • Chlorobutanol, Pharmaceutical Secondary Standard; Certified Reference Material
    • DTXSID9022235
    • 1,1,1-Trichloro-2-methyl-2-propanol (hydrate) (2:1)
    • RP10184
    • 2-Propanol, 1,1,1-trichloro-2-methyl-, hemihydrate (8CI); 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate; Chlorobutanol hemihydrate
    • DA-72176
    • WRWLCXJYIMRJIN-UHFFFAOYSA-N
    • Chlorobutanol hemihydrate
    • MDL： MFCD02179352
    • Inchi： 1S/2C4H7Cl3O.H2O/c2*1-3(2,8)4(5,6)7;/h2*8H,1-2H3;1H2
    • InChI Key： WRWLCXJYIMRJIN-UHFFFAOYSA-N
    • SMILES： ClC(C(C)(C)O)(Cl)Cl.ClC(C(C)(C)O)(Cl)Cl.O
    • BRN： 878167

Computed Properties

  • Exact Mass: 193.96700
  • Monoisotopic Mass: 175.956248
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 83.8
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 2
  • Topological Polar Surface Area: 20.2

Experimental Properties

  • Color/Form: Colorless crystals with camphor odor
  • Melting Point: 78°C(lit.)
  • Boiling Point: 173-175 °C
  • Flash Point: Fahrenheit: 212 ° f
    Celsius: 100 ° c
  • Water Partition Coefficient: Soluble in ethanol, ether, chloroform, and glycerol. Insoluble in water.
  • Stability/Shelf Life: Stable. Generates toxic fumes on combustion. Incompatible with strong oxidizing agents.
  • PSA: 29.46000
  • LogP: 2.06320
  • Merck: 2129
  • Solubility: Slightly soluble in water (1 ∶ 250), easily soluble in ethanol (1 ∶ 1), glycerol (1 ∶ 10), ether, chloroform and volatile oil. 1g can be dissolved in 1ml ethanol or 10ml glycerol, and in ether, petroleum ether, acetone, chloroform, glacial acetic acid, and oils.

Chlorobutanol hemihydrate Security Information

  • Symbol: GHS07
  • Prompt：warning
  • Signal Word：Warning
  • Hazard Statement： H302
  • Warning Statement： P301+P312+P330
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 22-36/37/38
  • Safety Instruction： S26; S36/37/39
  • RTECS：UC0175000
  • Hazardous Material Identification： Xn
  • TSCA：Yes
  • Storage Condition：2-8°C
  • Risk Phrases：R22; R36/37/38

Chlorobutanol hemihydrate Customs Data

  • HS CODE：29055900

Chlorobutanol hemihydrate Pricemore >>

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Chlorobutanol hemihydrate Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:6001-64-5)1,1,1-TRICHLORO-2-METHYL-2-PROPANOL HEMIHYDRATE
Order Number:LE18617
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:19
Price ($):discuss personally

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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:6001-64-5)1,1,1-TRICHLORO-2-METHYL-2-PROPANOL HEMIHYDRATE
LE18617
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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