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Chlorobutanol hemihydrate

CAS 6001-64-5C4H7Cl3OMW 177.45

Chlorobutanol hemihydrate (CAS 6001-64-5) — formula C4H7Cl3O, molecular weight 177.45; category organic chemicals.

Product Overview

CAS Number6001-64-5
Molecular FormulaC4H7Cl3O
Molecular Weight177.45
Melting Point99
Boiling Point167
LogPlog Kow= 2.03
ApplicationsPreservative, USED IN OPHTHALMIC PREPARATIONS
CategoryOrganic Chemicals

Applications

Documented applications: Preservative, USED IN OPHTHALMIC PREPARATIONS.

Technical Profile

What this product is

Chlorobutanol hemihydrate is a carbon-based organic compound with CAS registry number 6001-64-5 and molecular formula C4H7Cl3O (molecular weight 177.45), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 6001-64-5

Its molecular formula C4H7Cl3O comprises 4 C, 7 H, 3 Cl, 1 O atoms.

Also known as: Chlorobutanol hemihydrate · 半水氯丁醇

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of Chlorobutanol hemihydrate?

The CAS registry number of Chlorobutanol hemihydrate is 6001-64-5.

What is the molecular formula and molecular weight of Chlorobutanol hemihydrate?

Molecular formula C4H7Cl3O, molecular weight 177.45.

What other names is Chlorobutanol hemihydrate known by?

It is also registered under: Chlorobutanol hemihydrate, 半水氯丁醇.

What are the documented applications of Chlorobutanol hemihydrate?

Recorded applications: Preservative, USED IN OPHTHALMIC PREPARATIONS.

Which category does Chlorobutanol hemihydrate belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for Chlorobutanol hemihydrate (CAS 6001-64-5), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number6001-64-5
PubChem CID5977
Molecular formulaC4H7Cl3O
IUPAC name1,1,1-trichloro-2-methylpropan-2-ol
UNII (FDA)HM4YQM8WRC

Computed descriptors

Molecular Weight177.45
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass175.956248
Monoisotopic Mass175.956248
Topological Polar Surface Area20.2
Heavy Atom Count8

Physicochemical values on record

Boiling Point167
Boiling Point167 °C
Melting Point99
Melting Point97 °C
Vapor Pressure0.83 [mmHg]
LogPlog Kow= 2.03
LogP2.03

Documented uses on record

    Used as a plasticizer for cellulose esters and ethers, in medical practice (preservative, antimicrobial agent, anesthetic in dentistry, sedative and hypnotic, antiemetic), and in veterinary practice (antiseptic, local anesthetic, sedative, antiemetic, antipruritic, and hypnotic); [HSDB]Using Disinfectants or Biocides [Category: Clean]

    Synonyms and trade names

    Chlorobutanol; 57-15-8; Chlorbutol; 1,1,1-trichloro-2-methylpropan-2-ol; 1,1,1-Trichloro-2-methyl-2-propanol; CHLORETONE; Acetone chloroform; Chloreton; Acetonchloroform; Acetochlorone; Clortran; Methaform; Sedaform; Anhydrous chlorobutanol; Coliquifilm; Dentalone

    Regulatory listings held on file

    Regulatory & Food ContactCIR / INCI: Preservative
    GHS notification summary1.5% (1 / 67)

    GHS hazard classification

    GHS notification summary1.5% (1 / 67)
    Reported hazard statementsH302 (94%), H315 (13.4%)

    This chemical does not meet GHS hazard criteria for 1.5% (1 of 67) of reports.

    H302 (94%): Harmful if swallowed [Warning Acute toxicity, oral]

    What the public record says

    Chlorobutanol hemihydrate · CAS 6001-64-5 · C4H7Cl3O. UNII HM4YQM8WRC. Boiling Point: 167; Boiling Point: 167 °C; Melting Point: 99.

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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Supplier: Jinan Shenghe Chemical Co., Ltd.

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