3-(3-Nitrophenyl)propanoic acid

Basic Information

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CAS Number

1664-57-9

Molecular Formula

C9H9NO4

Molecular Weight

195.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Yellow powder

Melting Point

117.0 to 121.0 deg-C

Boiling Point

379.4°C at 760 mmHg

Density

1.343

Flash Point

168.9℃

Refractive Index

1.583

SMILES

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C1=CC(=CC(=C1)[N+](=O)[O-])CCC(=O)O

InChI

InChI=1S/C9H9NO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-3,6H,4-5H2,(H,11,12)

InChIKey

ZOANOABZUNJOJT-UHFFFAOYSA-N

LogP

2.13520

Complexity

223

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 CORROSIVE Class CORROSIVE

Synonyms & References

English

SCHEMBL81066
3-Nitrohydrocinnamic acid
DTXSID00375063
3-(3-nitrophenyl)propanoic Acid
3-nitro dihydrocinnamic acid
m-Nitrohydrozimtsaure
AM20060913
A810739
CS-W019004
ZOANOABZUNJOJT-UHFFFAOYSA-N
3-(3-Nitrophenyl)propionic acid
AC-7940
AE-562/43460510
1664-57-9
FT-0633744
SY016825
Z426022014
3-(3-nitropenyl)propionic acid
EN300-104989
MFCD01310835
Benzenepropanoic acid, 3-nitro-
N0960
DS-12447
3-(3-Nitrophenyl)propionicacid
NITROPHENYLPROPIONICACID
AKOS005217765
3-(3-Nitrophenyl)propanoic acid
3-(3-Nitropenyl)propionic acid
3-Nitrohydrocinnamic Acid
m-Nitrohydrocinnamic acid
3-Nitro-benzenepropanoic acid

MDL Number

MFCD01310835

Customs Code

2916399090

FAQ

What regulatory guidelines apply to 3-(3-Nitrophenyl)propanoic acid (CAS: 1664-57-9)?

3-(3-Nitrophenyl)propanoic acid (CAS: 1664-57-9) falls under the category of organic compounds with potential health and environmental hazards. Regulatory guidelines include GHS classification for handling, storage, and disposal based on its corrosive and toxic properties. In the EU, it is regulated under REACH for registration, evaluation, authorization, and restriction of chemicals. The FDA and EPA have specific guidelines for its use in pharmaceutical and agricultural applications, respectively.

Are there alternatives to 3-(3-Nitrophenyl)propanoic acid (CAS: 1664-57-9) in synthesis?

Alternatives to 3-(3-Nitrophenyl)propanoic acid (CAS: 1664-57-9) in synthesis include related compounds like 2-Nitrobenzoic acid and 4-Nitrobenzoic acid, which can serve as precursors. Other substitutes may include more stable analogs or isomers that can reduce toxicity and improve synthesis efficiency. Common alternative reagents like nitric acid or other carboxylic acids may also be considered.

What is the market or research trend for 3-(3-Nitrophenyl)propanoic acid (CAS: 1664-57-9)?

Research trends for 3-(3-Nitrophenyl)propanoic acid (CAS: 1664-57-9) are focused on its applications in the pharmaceutical and agricultural industries. Market interest is growing due to its use as an intermediate in the synthesis of various medications and pesticides. Emerging trends include the development of safer analogs and isomers to reduce environmental impact and improve safety profiles.

How should waste containing 3-(3-Nitrophenyl)propanoic acid (CAS: 1664-57-9) be handled?

Waste containing 3-(3-Nitrophenyl)propanoic acid (CAS: 1664-57-9) should be collected and stored in appropriate containers to prevent contamination. Incineration is a common method for disposal, but professional waste disposal services should be utilized to ensure compliance with environmental regulations. Handling should be done in a fume hood to minimize exposure, and all waste should be labeled appropriately for safe transportation and disposal.