4-Bromo-1-butyne

Basic Information

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CAS Number

38771-21-0

Molecular Formula

C4H5Br

Molecular Weight

122.99 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Boiling Point

110°C

Water Solubility

Immiscible with water.

Refractive Index

n20/D 1.481

SMILES

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C#CCCBr

InChI

InChI=1S/C4H5Br/c1-2-3-4-5/h1H,3-4H2

InChIKey

XLYOGWXIKVUXCL-UHFFFAOYSA-N

LogP

1.7913000000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

47.9

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H301 Toxic if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

Hazard Class

Class 3 Class 3

Synonyms & References

English

DTXSID10454136
AKOS015836189
F11435
CS-0147245
38771-21-0
4-Bromo-1-butyne
A6541
FT-0690002
AMY1272
1-Bromo-3-butyne
SCHEMBL932665
4-bromobutyne
AS-47016
XLYOGWXIKVUXCL-UHFFFAOYSA-N
B3242
1-Butyne, 4-bromo-
4-bromo-but-1-yne
EN300-109730
3-Butynyl Bromide
4-bromobut-1-yne
4-Bromo-1-butyne, 97%
C4H5Br
1-bromo-3-butynol
1-Butyne,4-bromo
4-bromo-butyne
homopropargyl bromide

MDL Number

MFCD10000883

Customs Code

2903399090

FAQ

What is 4-Bromo-1-butyne (CAS: 38771-21-0)?

4-Bromo-1-butyne (CAS: 38771-21-0) is an organic compound with the chemical formula C4H6Br. It is a colorless gas at room temperature with a strong bromine odor. This compound is used in various applications including pharmaceuticals, as a reagent in organic synthesis, and in research for its bromine-containing functionality.

What are the main uses of 4-Bromo-1-butyne (CAS: 38771-21-0)?

4-Bromo-1-butyne (CAS: 38771-21-0) is mainly used as an intermediate in the synthesis of pharmaceuticals, dyes, and other organic compounds. It also serves as a reagent in organic chemistry laboratories for the preparation of brominated compounds.

Is 4-Bromo-1-butyne (CAS: 38771-21-0) safe?

4-Bromo-1-butyne (CAS: 38771-21-0) can be hazardous due to its bromine content. It is flammable and may react with oxidizers. Proper handling, including the use of personal protective equipment, is essential to avoid inhalation, skin contact, and eye exposure. Storage should be in a well-ventilated area, away from sources of ignition and incompatible materials.

How should 4-Bromo-1-butyne (CAS: 38771-21-0) be stored?

4-Bromo-1-butyne (CAS: 38771-21-0) should be stored in a cool, dry, and well-ventilated area. It should be kept away from heat, sparks, and open flames. Containers should be tightly sealed and stored in a location that is inaccessible to unauthorized personnel. Refrigeration may be necessary to maintain stability, but check specific temperature requirements as they may vary. Avoid exposure to light and moisture.