Chlorbutanol Hemihydrate

Name: Chlorbutanol Hemihydrate
Brand: Vaqora Chemicals
SKU: VQ-013292

About Chlorbutanol Hemihydrate

Chlorbutanol Hemihydrate (CAS 6001-64-5) is a process intermediate or related compound of Chlorobutanol offered by Vaqora Chemicals. Its molecular formula is C8H16Cl6O3 and its molecular weight is 372.9 g/mol. Its systematic (IUPAC) name is bis(1,1,1-trichloro-2-methylpropan-2-ol). Hydrate. Alternative names: 2-(Trichloromethyl)-2-propanol Hemihydrate and Acetochlorone Hemihydrate.

It is supplied as a solid. Store the standard in its sealed vial, protected from light and moisture, and follow the storage condition printed on the COA. Under GHS it is labelled “Warning”, so handle it with suitable PPE and consult the SDS.

It is a process intermediate or related compound in the synthesis of Chlorobutanol, useful for route development, impurity fate-and-purge studies and analytical method development. Our customers for this product work in pharmaceutical manufacturing and academic and industrial research.

Standard pack sizes are 10 mg, 25 mg, 50 mg and 100 mg, and every batch ships with a Certificate of Analysis (COA) and we export worldwide. This item is currently in stock for prompt dispatch.

Typical applications

API route development
Impurity fate & purge studies
Analytical method development

Industries

Related to Chlorobutanol

View every impurity, metabolite and intermediate we list for Chlorobutanol.

Chlorobutanol impurities

Specifications & identifiers

Chemical identifiers
Product name	Chlorbutanol Hemihydrate
Catalogue No.	VQ-013292
CAS Number	6001-64-5
Other CAS	116295-73-9, 57-15-8
IUPAC name	bis(1,1,1-trichloro-2-methylpropan-2-ol);hydrate
Molecular formula	C₈H₁₆Cl₆O₃
Molecular weight	372.9 g/mol
Exact mass	371.9201
Grade	Reference Standard
InChIKey	WRWLCXJYIMRJIN-UHFFFAOYSA-N
SMILES	CC(C)(C(Cl)(Cl)Cl)O.CC(C)(C(Cl)(Cl)Cl)O.O
PubChem CID	5284505

Physical properties
Physical form	Solid
H-bond donors / acceptors	3 / 3
TPSA	41.5 Å²
Synonyms	1,1,1-Trichloro-2-methyl-2-propanol Hemihydrate, 1,1,1-Trichloro-tert-butyl Alcohol Hemihydrate, 2,2,2-Trichloro-1,1-dimethylethanol Hemihydrate, 2-(Trichloromethyl)-2-propanol Hemihydrate, Acetochlorone Hemihydrate, Acetonchloroform Hemihydrate, Acetone Chloroform Hemihydrate, Anhydrous chlorobutanol Hemihydrate, Chlorbutol Hemihydrate, Chloreton Hemihydrate, Chloretone Hemihydrate, Chlorobutanol Hemihydrate

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation

Precautionary statements: P261, P264, P264 + P265, P270, P271, P280, P301 + P317, P302 + P352, P304 + P340, P305 + P351 + P338, P319, P321, P330, P332 + P317, P337 + P317, P362 + P364, P403 + P233, P405, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Other grades of CAS 6001-64-5

Chlorobutol, 98%

CAS: 6001-64-5
Formula: C₈H₁₆Cl₆O₃
MW: 372.9 g/mol

VQ-010033

Frequently asked questions

What is the CAS number of Chlorbutanol Hemihydrate?

The CAS Registry Number of Chlorbutanol Hemihydrate is 6001-64-5. It is also known as 1,1,1-Trichloro-2-methyl-2-propanol Hemihydrate, 1,1,1-Trichloro-tert-butyl Alcohol Hemihydrate, 2,2,2-Trichloro-1,1-dimethylethanol Hemihydrate.

What is the molecular formula and molecular weight of Chlorbutanol Hemihydrate?

Chlorbutanol Hemihydrate has the molecular formula C8H16Cl6O3 and a molecular weight of 372.9 g/mol.

What is Chlorbutanol Hemihydrate used for?

Chlorbutanol Hemihydrate is supplied as a characterised reference material related to Chlorobutanol. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of Chlorbutanol Hemihydrate can I order?

We supply Chlorbutanol Hemihydrate in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg, 250 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Chlorbutanol Hemihydrate?

Yes. Every lot of Chlorbutanol Hemihydrate is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can Chlorbutanol Hemihydrate be shipped internationally?

Yes. Chlorbutanol Hemihydrate is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.