4-Bromo-2-nitrobenzoic acid

Basic Information

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CAS Number

99277-71-1

Molecular Formula

C7H4BrNO4

Molecular Weight

246.01 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

Physical State

Pale-yellow to Yellow-brown Solid

Melting Point

163.0 to 167.0 deg-C

Boiling Point

368.6 °C at 760 mmHg

Density

1.892

Flash Point

176.7 °C

SMILES

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C1=CC(=C(C=C1Br)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C7H4BrNO4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,(H,10,11)

InChIKey

ZIRHHEZLJGORGU-UHFFFAOYSA-N

LogP

2.57870

Complexity

227

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Benzoic acid, 4-bromo-2-nitro-
4-Bromo-2-nitrobenzoic acid
HY-W002727
W-204186
AC-3919
CS-W002727
PS-3572
AM20060942
AKOS034830327
EN300-99720
AKOS015835481
99277-71-1
VU0549290-1
ZIRHHEZLJGORGU-UHFFFAOYSA-N
DTXSID20396250
SCHEMBL132963
4-Bromo-2-nitrobenzoic acid
B3810
4-Bromo-2-nitrobenzoic acid, 97%
FT-0630198
F9995-0102
4-bromo-2-nitro-benzoic Acid
MFCD01013599
2-fluoro-5-chlorobenzoic acid
2-NITRO-4-BROMO BENZOIC ACID
4-Bromo-2-Nitrobenzoic Acid 2-Nitro-4-Bromobenzoic Acid
4-Brom-2-nitro-benzoesaeure
2-NITRO-4-BROMOBENZOIC ACID
4-Bromo-2-nitrobenzoicacid
PubChem2055
KSC488C1R

MDL Number

MFCD01013599

Customs Code

2916399090

FAQ

What regulatory guidelines apply to 4-Bromo-2-nitrobenzoic acid (CAS: 99277-71-1)?

4-Bromo-2-nitrobenzoic acid (CAS: 99277-71-1) falls under the scope of the REACH regulation in the EU, requiring suppliers to register substances above a certain tonnage. It also aligns with GHS classification, where it is categorized as a toxic substance and a skin irritant. In the USA, FDA and EPA regulations may apply for its use in pharmaceuticals and environmental discharge, respectively.

Are there alternatives to 4-Bromo-2-nitrobenzoic acid (CAS: 99277-71-1) in synthesis?

There are several alternatives to 4-Bromo-2-nitrobenzoic acid (CAS: 99277-71-1) in synthesis, such as other brominated or nitro-substituted benzoic acids. Common substitutes include 2-nitrobenzoic acid and 4-chloro-2-nitrobenzoic acid, which can be used to achieve similar functionalities in synthetic pathways.

What is the market or research trend for 4-Bromo-2-nitrobenzoic acid (CAS: 99277-71-1)?

The market for 4-Bromo-2-nitrobenzoic acid (CAS: 99277-71-1) is influenced by its use in pharmaceuticals, pesticides, and organic synthesis. Research trends show increasing interest in its application for developing new drugs and agrochemicals. Market analysis indicates steady demand due to its versatile reactivity, with potential for growth driven by innovation in chemical synthesis.

How should waste containing 4-Bromo-2-nitrobenzoic acid (CAS: 99277-71-1) be handled?

Waste containing 4-Bromo-2-nitrobenzoic acid (CAS: 99277-71-1) should be collected in appropriate containers and disposed of through hazardous waste management systems. Incineration is a common method, provided it is conducted in specialized facilities. Environmental protection precautions include ensuring proper containment to prevent soil and water contamination. Professional disposal services are recommended to ensure compliance with regulatory requirements.