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4-Chloro-1-butanol Tech. Grade

CAT: 0286-C10120-01Size: 50 gDry Ice: NoHazardous: Yes
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CAT#:0286-C10120-01Size:50 g
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CAS Number
928-51-8
Synonyms
Tetramethylene chlorohydrin
UN Code
UN2924
Pictogram
02 - Flammable; 05 - Corrosive
UDF Signal Word
Danger
MDL Number
MFCD00002967
Hazard Statement
H226 Flammable liquid and vapor; H302 Harmful if swallowed; H312 Harmful in contact with skin; H314 Causes severe skin burns and eye damage; H318 Causes serious eye damage; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Flammable Liquids, Corrosive, N.O.S.
DOT Classification
Class 3, 8
Packaging Group
PGIII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P260 Do not breathe dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting; P302+P352 IF ON SKIN: wash with plenty of soap and water; P303+P361+P353 IF ON SKIN (or hair) : Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P403+P235 Store in a well-ventilated place. Keep cool.

Chemical Information

4-Chloro-1-butanol

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.

CAS Number928-51-8
PubChem CID13569
IUPAC Name4-chlorobutan-1-ol
Molecular FormulaC4H9ClO
Molecular Weight108.57
XLogP0.8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count6
Formal Charge0
Complexity23
SMILES
C(CCCl)CO
InChI
InChI=1S/C4H9ClO/c5-3-1-2-4-6/h6H,1-4H2
InChIKey
HXHGULXINZUGJX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloro-1-butanol
CAS: 928-51-8
CID: 13569
Formula: C4H9ClO
MW: 108.57
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight108.57
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass108.0341926
Monoisotopic Mass108.0341926
Topological Polar Surface Area20.2 Ų
Heavy Atom Count6
Formal Charge0
Complexity23.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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