CAS 928-51-8|4-Chlorobutan-1-ol|chlorbutol|4-chlorobutan-1-ol|Tetramethylene chlorohydrin|4-CHLOROBUTANOL-1|四亚甲基氯醇|4-氯-1-丁醇|4-Chloro-1-butanol

Molecular Formula

C₄H₉ClO

Molecular Mass

108.56666

Exact Mass

108.03419259

InChI

InChI=1S/C4H9ClO/c5-3-1-2-4-6/h6H,1-4H2

InChIKey

HXHGULXINZUGJX-UHFFFAOYSA-N

Canonic Smiles

OCCCCCl

Isomeric Smiles

ClCCCCO

JChem

Acid pKa

15.972777

H Acceptors

H Donor

LogD (pH = 5.5)

0.7232352

LogD (pH = 7.4)

0.7232352

Log P

0.7232352

Molar Refractivity

27.1146

Polarizability

10.57437

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

13569

Synonyms

4-Chlorobutan-1-olTetramethylene chlorohydrin4-CHLOROBUTANOL-1四亚甲基氯醇4-氯-1-丁醇4-Chloro-1-butanol

IUPAC Traditional name

chlorbutol

IUPAC name

4-chlorobutan-1-ol

MDL Number

MFCD00002967

Beilstein Number

1731408

Storage Warning

Harmful

European Hazard Symbols

Irritant (Xi)

Harmful (Xn)

Harmful (X)

RTECS

EL1325000

Risk Statements

R:36/37/38

10-22-36/37/38

MSDS Link

Download link

Safety Statements

S:20-25-26-37/39

23-36

GHS Hazard statements

H226-H302-H315-H319-H335

H301-H315-H319-H335-H227

RID/ADR

UN 2924 3/PG 3

Personal Protective Equipment

Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

German water hazard class

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

UN Number

2924

GHS Precautionary statements

P261-P305+P351+P338

P210-P301+P310-P305+P351+P338-P302+P352-P405-P501A

GHS Signal Word

Warning

Storage Temperature

2-8°C

Packing Group

Hazard Class

TSCA Listed

是

Product Information

Physical Property

No Data Available

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No Data Available

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Sigma Aldrich

278823

Other Notes
Contains tetrahydrofuran and HCl
Packaging
50, 250 mL in glass bottle

No Data Available

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Academic Data

PubChem

13569

Synonyms

4-Chlorobutan-1-olTetramethylene chlorohydrin4-CHLOROBUTANOL-1四亚甲基氯醇4-氯-1-丁醇4-Chloro-1-butanol

IUPAC Traditional name

chlorbutol

IUPAC name

4-chlorobutan-1-ol

MDL Number

MFCD00002967

Beilstein Number

1731408

Sigma Aldrich

278823

Other Notes
Contains tetrahydrofuran and HCl
Packaging
50, 250 mL in glass bottle

No Data Available

Click here to submit data

Safety Information

Product Information

Physical Property

Molecule

ID:76551