Chlorobutanol hemihydrate (CAS 6001-64-5) — formula C4H7Cl3O, molecular weight 177.45; category organic chemicals.
| CAS Number | 6001-64-5 |
|---|---|
| Molecular Formula | C4H7Cl3O |
| Molecular Weight | 177.45 |
| Melting Point | 99 |
| Boiling Point | 167 |
| LogP | log Kow= 2.03 |
| Applications | Preservative, USED IN OPHTHALMIC PREPARATIONS |
| Category | Organic Chemicals |
Documented applications: Preservative, USED IN OPHTHALMIC PREPARATIONS.
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.
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
The CAS registry number of Chlorobutanol hemihydrate is 6001-64-5.
Molecular formula C4H7Cl3O, molecular weight 177.45.
It is also registered under: Chlorobutanol hemihydrate, 半水氯丁醇.
Recorded applications: Preservative, USED IN OPHTHALMIC PREPARATIONS.
Category: Organic Chemicals.
Independent reference data for Chlorobutanol hemihydrate (CAS 6001-64-5), compiled from public chemistry databases.
| CAS Registry Number | 6001-64-5 |
|---|---|
| PubChem CID | 5977 |
| Molecular formula | C4H7Cl3O |
| IUPAC name | 1,1,1-trichloro-2-methylpropan-2-ol |
| UNII (FDA) | HM4YQM8WRC |
| Molecular Weight | 177.45 |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 175.956248 |
| Monoisotopic Mass | 175.956248 |
| Topological Polar Surface Area | 20.2 |
| Heavy Atom Count | 8 |
| Boiling Point | 167 |
|---|---|
| Boiling Point | 167 °C |
| Melting Point | 99 |
| Melting Point | 97 °C |
| Vapor Pressure | 0.83 [mmHg] |
| LogP | log Kow= 2.03 |
| LogP | 2.03 |
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 & Food Contact | CIR / INCI: Preservative |
|---|---|
| GHS notification summary | 1.5% (1 / 67) |
| GHS notification summary | 1.5% (1 / 67) |
|---|---|
| Reported hazard statements | H302 (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]
Chlorobutanol hemihydrate · CAS 6001-64-5 · C4H7Cl3O. UNII HM4YQM8WRC. Boiling Point: 167; Boiling Point: 167 °C; Melting Point: 99.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 半水氯丁醇