928-51-8
Product Name:
4-Chloro-1-butanol
Formula:
C4H9ClO
Synonyms:
Tetramethylene chlorohydrin
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear colorless liquid; Contains <= 12% hydrochloric acid (CAS# 7647-01-0) and <= 3% tetrahydrofuran (CAS# 109-99-9); [Sigma-Aldrich MSDS] |
|---|---|
| Vapor Pressure | 0.35 [mmHg] |
| Chemical Classes | Other Classes -> Halogenated Alcohols |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H226:Flammable liquids H290:Corrosive to Metals H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H351:Carcinogenicity |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 108.57 g/mol |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 108.0341926 g/mol |
| Monoisotopic Mass | 108.0341926 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 23.5 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
4-chlorobutanol is a primary alcohol that is butan-1-ol substituted by a chloro group at position 4. It has a role as a metabolite. It is a primary alcohol and an organochlorine compound. It is functionally related to a butan-1-ol.