CAS 33036-62-3|1-Bromo-4-hydroxybutane|4-Bromobutan-1-ol 98%|4-bromobutan-1-ol|4-bromobutan-1-ol|Tetramethylene bromohydrin|4-溴-1-丁醇|4-溴丁醇|4-Bromo-1-butanol

Molecular Formula

C₄H₉BrO

Molecular Mass

153.01766

Exact Mass

151.98367691

InChI

InChI=1S/C4H9BrO/c5-3-1-2-4-6/h6H,1-4H2

InChIKey

SIJLYRDVTMMSIP-UHFFFAOYSA-N

Canonic Smiles

OCCCCBr

Isomeric Smiles

BrCCCCO

JChem

Acid pKa

15.973406

H Acceptors

H Donor

LogD (pH = 5.5)

0.90873045

LogD (pH = 7.4)

0.90873045

Log P

0.90873045

Molar Refractivity

30.0981

Polarizability

11.575259

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

118388

Synonyms

1-Bromo-4-hydroxybutane4-Bromobutan-1-ol 98%Tetramethylene bromohydrin4-溴-1-丁醇4-溴丁醇4-Bromo-1-butanol

IUPAC Traditional name

4-bromobutan-1-ol

IUPAC name

4-bromobutan-1-ol

MDL Number

CAS Number

PubChem SID

Beilstein Number

Physical Property

Storage Warning

Flammable/Irritant/Keep Cold

RID/ADR

UN 1987 3/PG 2

European Hazard Symbols

Flammable (F)

Irritant (Xi)

P210-P261-P305+P351+P338

P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

H225-H315-H319-H335

H226-H315-H319-H335

11-36/37/38

10-36/37/38

1987

UN1987

23-26-37-60

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

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

Product Information

Linear Formula

BrCH2CH2CH2CH2OH

Purity

≥85% (as solvent-free, GC)

Grade

technical

No Data Available

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No Data Available

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Sigma Aldrich

95517

Analysis Note
contains varying amounts of tetrahydrofuran as solvent
Packaging
2.5 g in glass bottle

No Data Available

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Academic Data

PubChem

118388

Synonyms

1-Bromo-4-hydroxybutane4-Bromobutan-1-ol 98%Tetramethylene bromohydrin4-溴-1-丁醇4-溴丁醇4-Bromo-1-butanol

IUPAC Traditional name

4-bromobutan-1-ol

IUPAC name

4-bromobutan-1-ol

MDL Number

CAS Number

PubChem SID

Beilstein Number

95517

Analysis Note
contains varying amounts of tetrahydrofuran as solvent
Packaging
2.5 g in glass bottle

No Data Available

Click here to submit data

Physical Property

Safety Information

Product Information

Linear Formula

BrCH2CH2CH2CH2OH

Purity

≥85% (as solvent-free, GC)

Grade

technical

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

Molecule

ID:88839