3-Bromo-3-buten-1-ol

Basic Information

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CAS Number

76334-36-6

Molecular Formula

C4H7BrO

Molecular Weight

151 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Boiling Point

64-65 °C/9 mmHg

Density

1.522 g/mL at 25 °C

Refractive Index

n20/D 1.499(lit.)

SMILES

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C=C(CCO)Br

InChI

InChI=1S/C4H7BrO/c1-4(5)2-3-6/h6H,1-3H2

InChIKey

RTKMFQOHBDVEBC-UHFFFAOYSA-N

LogP

1.2773999999999999

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

51.5

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

H318 Causes serious eye damage
Serious eye damage/eye irritation

Sensitiveness

Light Sensitive

Synonyms & References

English

NS00069035
MFCD00154041
EN300-215393
DB04592
3-BROMOBUT-3-EN-1-OL
3-Bromo-3-buten-1-ol
E78165
A838676
3-Buten-1-ol, 3-bromo-
FT-0658325
MS-20039
SCHEMBL388193
3-bromo-3-butenol
SY198031
T4HW642ALH
3-Bromo-3-buten-1-ol, 98%
3BB
76334-36-6
MERCURICCYANIDE
Q27095332
AKOS005254688
PD005982
DTXSID00336472
GEO-00401
CS-0204881
UNII-T4HW642ALH
3-bromobut-3-en-1-ol

MDL Number

MFCD00154041

Customs Code

2905590090

FAQ

What regulatory guidelines apply to 3-Bromo-3-buten-1-ol (CAS: 76334-36-6)?

3-Bromo-3-buten-1-ol (CAS: 76334-36-6) falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), requiring appropriate hazard communication. In the European Union, it also complies with REACH regulations, which mandate registration, evaluation, authorization, and restriction of chemicals. Additionally, the Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) in the USA regulate its use in pharmaceuticals and environmental exposure, respectively.

Are there alternatives to 3-Bromo-3-buten-1-ol (CAS: 76334-36-6) in synthesis?

Alternatives to 3-Bromo-3-buten-1-ol (CAS: 76334-36-6) in synthesis include other brominated olefins with similar functional groups, such as 3-bromoprop-1-ene or 3-bromobut-1-ene. These can serve as reagents in similar reactions, depending on the specific requirements of the synthesis.

What is the market or research trend for 3-Bromo-3-buten-1-ol (CAS: 76334-36-6)?

The market for 3-Bromo-3-buten-1-ol (CAS: 76334-36-6) is primarily driven by its use in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. Research trends are focusing on developing more sustainable and efficient synthetic routes, as well as exploring its use in new applications such as functional materials and advanced coatings. Market trends indicate a steady demand, with price fluctuations depending on supply and demand dynamics.

How should waste containing 3-Bromo-3-buten-1-ol (CAS: 76334-36-6) be handled?

Waste containing 3-Bromo-3-buten-1-ol (CAS: 76334-36-6) should be collected in appropriate containers and stored in a well-ventilated area away from ignition sources. For disposal, it is recommended to use professional waste disposal services that specialize in chemical waste. Incineration is a common method, provided it is done in an adequately controlled and permitted facility. Environmental precautions include ensuring that all waste is properly labeled and that disposal complies with local, national, and international regulations.