CAS 3355-28-0|1-Bromo-2-butyne|1-bromobut-2-yne|1-bromobut-2-yne|1-溴-2-丁炔|1-Bromobut-2-yne|1-BROMO-2-BUTYNE

Molecular Formula

C₄H₅Br

Molecular Mass

132.9865

Exact Mass

131.95746216

InChI

InChI=1S/C4H5Br/c1-2-3-4-5/h4H2,1H3

InChIKey

LNNXOEHOXSYWLD-UHFFFAOYSA-N

Canonic Smiles

CC#CCBr

Isomeric Smiles

BrCC#CC

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.086023

LogD (pH = 7.4)

2.086023

Log P

2.086023

Molar Refractivity

27.3768

Polarizability

9.806269

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

2756862

Synonyms

1-Bromo-2-butyne1-溴-2-丁炔1-Bromobut-2-yne1-BROMO-2-BUTYNE

IUPAC name

1-bromobut-2-yne

IUPAC Traditional name

1-bromobut-2-yne

MDL Number

MFCD00190233

CAS Number

3355-28-0

Beilstein Number

605306

Physical Property

Safety Information

Flammable

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

No Data Available

Click here to submit data

No Data Available

Click here to submit data

Sigma Aldrich

427292

Application
Exploited in the synthesis of axially chiral teranyl compounds.1
Packaging
1, 5 g in glass bottle

No Data Available

Click here to submit data

Academic Data

PubChem

2756862

Synonyms

1-Bromo-2-butyne1-溴-2-丁炔1-Bromobut-2-yne1-BROMO-2-BUTYNE

IUPAC name

1-bromobut-2-yne

IUPAC Traditional name

1-bromobut-2-yne

MDL Number

CAS Number

Beilstein Number

427292

Application
Exploited in the synthesis of axially chiral teranyl compounds.1
Packaging
1, 5 g in glass bottle

No Data Available

Click here to submit data

Physical Property

Safety Information

Flammable

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

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

GHS Signal Word

Warning

Risk Statements

10-36/37/38

Safety Statements

26-37-60

GHS Hazard statements

H226

H226-H315-H319-H335

RID/ADR

UN 1993 3/PG 3

Packing Group

III

MSDS Link

Download link

Hazard Class

UN Number

1993

UN1993

European Hazard Symbols

Irritant (Xi)

TSCA Listed

否

GHS Precautionary statements

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

Molecule

ID:89897