1-Bromo-4-ethynylbenzene

Basic Information

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CAS Number

766-96-1

Molecular Formula

C8H5Br

Molecular Weight

181.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Solid

Melting Point

64.0 to 68.0 deg-C

Boiling Point

92°C/12mmHg

Density

1.4255 (rough estimate)

Flash Point

88-90°C/16mm

Solubility

Soluble in chloroform, diethyl ether and ethanol.

Refractive Index

1.6411 (estimate)

SMILES

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C#CC1=CC=C(C=C1)Br

InChI

InChI=1S/C8H5Br/c1-2-7-3-5-8(9)6-4-7/h1,3-6H

InChIKey

LTLVZQZDXQWLHU-UHFFFAOYSA-N

LogP

2.43040

Complexity

123

Safety Information

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GHS Hazard Pictograms

H302

H319

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 9 Class 9

Synonyms & References

English

p-Bromphenylacetylen
4'-Bromophenyl acetylene
DTXSID20227419
1-Bromo-4-ethynylbenzene, 97%
4'-Bromophenylacetylene
SCHEMBL391956
4-bromophenylacetylene
1-Bromo-4-ethynylbenzene
MFCD00168822
AM20060726
(4-Bromphenyl)acetylene
SY019199
Q-102449
InChI=1/C8H5Br/c1-2-7-3-5-8(9)6-4-7/h1,3-6
p-bromophenyl acetylene
HY-W007542
para-bromophenylacetylene
FT-0600534
1-bromo-4-ethynyl benzene
1-Bromo-4-ethynylbenzene #
RS-1005
Benzene, 1-bromo-4-ethynyl-
(4-bromophenyl)acetylene
AKOS005146061
A9721
B3701
766-96-1
EN300-105966
p-bromophenylacetylene
CS-W007542
1-Bromo-4-ethynyl-benzene

MDL Number

MFCD00168822

Customs Code

2903999090

FAQ

What regulatory guidelines apply to 1-Bromo-4-ethynylbenzene (CAS: 766-96-1)?

1-Bromo-4-ethynylbenzene (CAS: 766-96-1) is subject to various regulatory guidelines. Under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), it may be classified as a flammable liquid and require specific labelling. In Europe, it falls under REACH regulations, requiring suppliers to register the substance if the quantity used exceeds certain thresholds. Regulatory bodies like FDA and EPA in the USA may also impose additional handling and disposal requirements. Always consult the latest safety data sheets (SDS) for detailed information.

Are there alternatives to 1-Bromo-4-ethynylbenzene (CAS: 766-96-1) in synthesis?

Several alternatives to 1-Bromo-4-ethynylbenzene (CAS: 766-96-1) can be used in synthesis, depending on the desired properties. Common substitutes include 1-chloro-4-ethynylbenzene, 1-fluoro-4-ethynylbenzene, and 1-iodo-4-ethynylbenzene. These compounds can serve similar roles but may have different reactivity or stability. Always consider the specific requirements of the reaction and consult literature for optimal choices.

What is the market or research trend for 1-Bromo-4-ethynylbenzene (CAS: 766-96-1)?

The market for 1-Bromo-4-ethynylbenzene (CAS: 766-96-1) is driven by its use in various organic syntheses and academic research. Recent trends show an increase in its application in developing novel materials and pharmaceuticals. Research is also focusing on green chemistry approaches to reduce the environmental impact of brominated compounds. Market dynamics are influenced by the availability of alternative reagents and the regulatory landscape. Continuous innovation and demand for more sustainable processes are key trends shaping its future use.

How should waste containing 1-Bromo-4-ethynylbenzene (CAS: 766-96-1) be handled?

Waste containing 1-Bromo-4-ethynylbenzene (CAS: 766-96-1) should be collected in appropriate containers and stored in a well-ventilated area. Incineration is a common disposal method, but ensure it meets local regulations. Professional waste disposal services can provide guidance on specific disposal methods. Environmental protection measures include proper labeling, avoiding contact with water sources, and following local waste management guidelines. Always consult the latest safety data sheets (SDS) for detailed disposal instructions.