(4-Nitrophenyl)acetic acid

Basic Information

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CAS Number

104-03-0

Molecular Formula

C8H7NO4

Molecular Weight

181.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

150-155 °C

Boiling Point

314.24°C (rough estimate)

Flash Point

171.6℃

Refractive Index

1.5468 (estimate)

SMILES

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C1=CC(=CC=C1CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)

InChIKey

YBADLXQNJCMBKR-UHFFFAOYSA-N

LogP

1.74510

pKa

3.85(at 25℃)

Complexity

203

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

4-Nitrophenylacetic acid, ReagentPlus(R), 99%
W-108829
Benzeneacetic acid, 4-nitro-
STR00634
EINECS 203-168-5
KLB4P626RE
4-nitrophenyl acetic acid
4-Nitrophenylacetic acid, Vetec(TM) reagent grade, 98%
2-(4-NITROPHENYL)ACETIC ACID
SCHEMBL76204
(4-Nitrophenyl)acetic acid
NSC-5398
AM20060474
DTXSID6059289
s12333
(4-Nitro-phenyl)-acetic acid
4-nitrophenylaceticacid
4-Nitrobenzencacetic Acid
1ajn
4-Nitrophenylaetic acid
NSC5398
AE-641/02392058
Q27096559
Acetic acid, (p-nitrophenyl)-
p-nitrophenylacetic acid
MFCD00007383
(p-nitrophenyl) acetic acid
CHEBI:40443
4-nitro-Benzeneacetic acid,
CS-D1370
Z104477118

MDL Number

MFCD00007383

Customs Code

29163900

FAQ

What is (4-Nitrophenyl)acetic acid (CAS: 104-03-0)?

(4-Nitrophenyl)acetic acid, with the CAS number 104-03-0, is an organic compound that contains a nitro group attached to a phenyl ring, which is connected to an acetic acid group. It is a solid at room temperature and has a molecular formula of C8H7NO4. This compound is known for its acidity and is commonly used in chemical synthesis due to its reactivity.

What are the main uses of (4-Nitrophenyl)acetic acid (CAS: 104-03-0)?

(4-Nitrophenyl)acetic acid (CAS: 104-03-0) is primarily used in pharmaceutical research as an intermediate in the synthesis of various drugs. It also finds applications in organic chemistry for creating derivatives and in industrial processes for producing specialty chemicals. Its utility extends to research in chemical synthesis and medicinal chemistry due to its functional group versatility.

Is (4-Nitrophenyl)acetic acid (CAS: 104-03-0) safe?

The safety of (4-Nitrophenyl)acetic acid (CAS: 104-03-0) depends on exposure conditions. It is considered toxic if ingested or inhaled, and proper protective measures such as gloves, goggles, and a fume hood are recommended during handling. Safety standards emphasize avoiding skin contact and ensuring good ventilation to minimize health risks.

How should (4-Nitrophenyl)acetic acid (CAS: 104-03-0) be stored?

(4-Nitrophenyl)acetic acid (CAS: 104-03-0) should be stored in a cool, dry, and well-ventilated place, away from light and moisture. It is typically kept in a sealed container made of materials resistant to chemical corrosion. Maintaining storage conditions below 25°C and ensuring low humidity levels help preserve its stability and prevent degradation.