Synonym: 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate; β,β,β-Trichloro-tert-butyl alcohol hemihydrate; ‘Acetone chloroform’; ‘Chlorobutanol’
CAS Number: 6001-64-5
Empirical Formula (Hill Notation): C4H7Cl3O · 0.5H2O
Molecular Weight: 186.46
EC Number: 249-042-3
MDL Number: MFCD02179352
Linear Formula: Cl3CC(CH3)2OH · 0.5H2O
Product Type: Chemical
| agency |
traceable to USP 1112503 |
| API family |
chlorobutanol |
| application(s) |
pharmaceutical (small molecule) |
| CofA |
current certificate can be downloaded |
| format |
neat |
| grade |
certified reference material |
| |
pharmaceutical secondary standard |
| InChI |
1S/2C4H7Cl3O.H2O/c2*1-3(2,8)4(5,6)7;/h2*8H,1-2H3;1H2 |
| InChI key |
WRWLCXJYIMRJIN-UHFFFAOYSA-N |
| packaging |
pkg of 1 g |
| Quality Level |
300  |
| SMILES string |
O.CC(C)(O)C(Cl)(Cl)Cl.CC(C)(O)C(Cl)(Cl)Cl |
| storage temp. |
2-30°C |
| technique(s) |
gas chromatography (GC): suitable |
| |
HPLC: suitable |
| Analysis Note: |
These secondary standards offer multi-traceability to the USP, EP and BP primary standards, where they are available. |
| Application: |
Chlorobutanol may be used as a pharmaceutical reference standard for the determination of the analyte in pharmaceutical formulations and ophthalmic ointments by various chromatography techniques. |
| Application: |
These Secondary Standards are qualified as Certified Reference Materials. These are suitable for use in several analytical applications including but not limited to pharma release testing, pharma method development for qualitative and quantitative analyses, food and beverage quality control testing, and other calibration requirements. |
| Footnote: |
To see an example of a Certificate of Analysis for this material enter LRAB7819 in the slot below. This is an example certificate only and may not be the lot that you receive. |
| General description: |
Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards. |
| Other Notes: |
This Certified Reference Material (CRM) is produced and certified in accordance with ISO 17034 and ISO/IEC 17025. All information regarding the use of this CRM can be found on the certificate of analysis. |
| Recommended products: |
Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial . |
| Symbol |
 GHS07 |
| Signal word |
Warning |
| Hazard statements |
H302 |
| Precautionary statements |
P301 + P312 + P330 |
| Hazard Codes |
Xn |
| Risk Statements |
22-36/37/38 |
| Safety Statements |
26-36/37/39 |
| RIDADR |
NONH for all modes of transport |
| WGK Germany |
WGK 3 |
| Flash Point(F) |
212.0 °F - closed cup |
| Flash Point(C) |
100 °C - closed cup |
| Storage Temp. |
2-30°C |
| UNSPSC |
41116107 |
