2-(4-Bromophenyl)butanoic acid

Basic Information

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CAS Number

99070-18-5

Molecular Formula

C10H11BrO2

Molecular Weight

243.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

85 ºC

Boiling Point

342.1℃ at 760 mmHg

Density

1.457±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

160.7°C

Refractive Index

1.5458 (589.3 nm 20 ºC)

SMILES

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CCC(C1=CC=C(C=C1)Br)C(=O)O

InChI

InChI=1S/C10H11BrO2/c1-2-9(10(12)13)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3,(H,12,13)

InChIKey

XVEFRABIRRNWFO-UHFFFAOYSA-N

LogP

3.027300000000001

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

174

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3-09-00-02469 (Beilstein Handbook Reference)
CS-0152620
MFCD01737245
(4-Bromophenyl)(ethyl)acetic acid
2-(4-bromophenyl)butanoic acid
SS-2067
J-505914
99070-18-5
2-(p-Bromophenyl)butyric acid
R10014
SY047432
2-(4-bromophenyl)butanoicacid
BUTYRIC ACID, 2-(p-BROMOPHENYL)-
2-(4-bromophenyl)butanoic acid, AldrichCPR
2-(4-Bromophenyl)butyric acid
AMY20696
EN300-106619
A-ethyl-benzeneacetic acid
BRN 3259841
4-Bromo-
XVEFRABIRRNWFO-UHFFFAOYSA-N
AKOS005073691
4-bromophenyl butyric acid
ZDA07018
SCHEMBL6766
4-bromophenylbutanoic acid
DTXSID10912882
2-(4-Bromophenyl)butanoic acid
4-Bromo-α-ethyl-benzeneacetic acid
bromophenylbutanoicacid
4-Bromo-alpha-ethylbenzeneacetic acid

MDL Number

MFCD01737245

Customs Code

2916399090

FAQ

What regulatory guidelines apply to 2-(4-Bromophenyl)butanoic acid (CAS: 99070-18-5)?

2-(4-Bromophenyl)butanoic acid (CAS: 99070-18-5) is subject to GHS classification as a hazardous chemical. It is also regulated under REACH in the EU, which requires manufacturers and importers to register substances above one tonne per year. FDA and EPA may have additional requirements for its use and disposal in the US. Proper labeling and documentation are necessary for handling this substance.

Are there alternatives to 2-(4-Bromophenyl)butanoic acid (CAS: 99070-18-5) in synthesis?

There are alternatives to 2-(4-Bromophenyl)butanoic acid (CAS: 99070-18-5) in synthesis, such as using other substituents on the phenyl ring or different carboxylic acids. For instance, 2-(4-Chlorophenyl)butanoic acid or 2-(4-Iodophenyl)butanoic acid can be used as substitutes depending on the desired reactivity and product properties.

What is the market or research trend for 2-(4-Bromophenyl)butanoic acid (CAS: 99070-18-5)?

The market for 2-(4-Bromophenyl)butanoic acid (CAS: 99070-18-5) is driven by its applications in pharmaceuticals and fine chemicals. Research trends include its use as a starting material for synthesizing medicinal compounds, particularly in the development of new drugs. Market trends show a steady demand with occasional fluctuations based on the availability of raw materials and emerging research opportunities.

How should waste containing 2-(4-Bromophenyl)butanoic acid (CAS: 99070-18-5) be handled?

Waste containing 2-(4-Bromophenyl)butanoic acid (CAS: 99070-18-5) should be collected in appropriate containers and handled according to local hazardous waste regulations. Incineration is a common method of disposal, but it must be done in a controlled environment to minimize environmental impact. Professional waste disposal services are recommended to ensure compliance with environmental protection standards.