1-Bromo-4-heptylbenzene

Basic Information

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CAS Number

76287-49-5

Molecular Formula

C13H19Br

Molecular Weight

255.2 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

190°C/35mmHg

Density

1.15

Flash Point

161.0±9.3 °C

Refractive Index

1.5170-1.5190

SMILES

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CCCCCCCC1=CC=C(C=C1)Br

InChI

InChI=1S/C13H19Br/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11H,2-7H2,1H3

InChIKey

YHKMTIJHJWYYAG-UHFFFAOYSA-N

LogP

4.962000000000003

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

125

Synonyms & References

English

Benzene, 1-bromo-4-heptyl-
J-504451
FT-0605666
CS-0128870
DTXSID90379378
B1608
4-Heptylbromobenzene
F17122
76287-49-5
AKOS015835694
A838665
1-Bromo-4-heptylbenzene (stabilized with Copper chip)
SCHEMBL4191545
AS-9558
1-Bromo-4-heptylbenzene
1-Bromo-4-heptylbenzene, (stabilized with Copper chip)
YHKMTIJHJWYYAG-UHFFFAOYSA-N
1-(4-bromophenyl)heptane
MFCD00061115
1-Bromo-4-n-heptylbenzene
1-(4-Bromophenyl)heptane
4-n-Heptylbromobenzene
p-Bromoheptylbenzene
4-Heptylbromobenzene (stabilized with Copper chip)
4-bromo-1-heptylbenzene
1-bromo-4-heptyl-benzene
1-bromanyl-4-heptyl-benzene
KSC912E9B
RP29097
AX8057493
V766

MDL Number

MFCD00061115

FAQ

What regulatory guidelines apply to 1-Bromo-4-heptylbenzene (CAS: 76287-49-5)?

1-Bromo-4-heptylbenzene (CAS: 76287-49-5) is subject to regulations such as GHS (Global Harmonized System of Classification and Labeling of Chemicals) for hazard communication and classification. It may also be regulated under REACH in the European Union for registration, evaluation, authorization, and restriction of chemicals. Additionally, the FDA and EPA have requirements related to its use in pharmaceuticals and environmental concerns.

Are there alternatives to 1-Bromo-4-heptylbenzene (CAS: 76287-49-5) in synthesis?

In synthesis, 1-Bromo-4-heptylbenzene (CAS: 76287-49-5) may have alternatives like 1-Chloro-4-heptylbenzene, 1-Iodo-4-heptylbenzene, or other brominated aromatic compounds. Isomers and analogs can also be explored depending on the specific reaction requirements and availability.

What is the market or research trend for 1-Bromo-4-heptylbenzene (CAS: 76287-49-5)?

The market for 1-Bromo-4-heptylbenzene (CAS: 76287-49-5) is driven by applications in pharmaceuticals and as intermediates in organic synthesis. Research trends focus on its use in drug development and as a potential antimicrobial agent. Market trends suggest steady demand with ongoing exploration of its biological properties.

How should waste containing 1-Bromo-4-heptylbenzene (CAS: 76287-49-5) be handled?

Waste containing 1-Bromo-4-heptylbenzene (CAS: 76287-49-5) should be collected in appropriate containers and stored separately. It should be disposed of through incineration or professional waste disposal services. Environmental protection measures should include proper labeling and handling to prevent contamination and exposure.