3-(Methoxycarbonyl)-2-nitrobenzoic acid

Basic Information

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CAS Number

861593-27-3

Molecular Formula

C9H7NO6

Molecular Weight

225.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

400.9℃ at 760 mmHg

SMILES

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COC(=O)c1cccc(c1[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C9H7NO6/c1-16-9(13)6-4-2-3-5(8(11)12)7(6)10(14)15/h2-4H,1H3,(H,11,12)

InChIKey

NUULGBPUCNUUQD-UHFFFAOYSA-N

LogP

1.60280

Complexity

310

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

3-(Methoxycarbonyl)-2-nitrobenzoic acid
1,3-Benzenedicarboxylicacid, 2-nitro-, 1-methyl ester
2-NITROISOPHTHALIC ACID MONOMETHYL ESTER
2-Nitro-isophthalic acid monomethyl ester
3-methoxycarbonyl-2-nitrobenzoic acid
2-NitroisophthalicAcidMonomethylEster
5595AJ
TRA0027142
SY010916
AX8077729

MDL Number

MFCD08690069

Customs Code

2918990090

FAQ

What is 3-(Methoxycarbonyl)-2-nitrobenzoic acid (CAS: 861593-27-3)?

3-(Methoxycarbonyl)-2-nitrobenzoic acid (CAS: 861593-27-3) is an organic compound with the molecular formula C8H7NO5. It is a white to off-white crystalline solid with a pungent odor. This compound is used in various industries including pharmaceuticals, where it serves as an intermediate in the synthesis of other organic compounds.

What are the main uses of 3-(Methoxycarbonyl)-2-nitrobenzoic acid (CAS: 861593-27-3)?

3-(Methoxycarbonyl)-2-nitrobenzoic acid (CAS: 861593-27-3) is primarily used as an intermediate in the synthesis of pharmaceuticals and other organic compounds. It can also be used in the formulation of certain dyes and pigments.

Is 3-(Methoxycarbonyl)-2-nitrobenzoic acid (CAS: 861593-27-3) safe?

3-(Methoxycarbonyl)-2-nitrobenzoic acid (CAS: 861593-27-3) is generally safe when handled with proper precautions. However, it can irritate the skin and eyes. Users should wear protective gloves and safety goggles. Ensure good ventilation and avoid contact with skin, eyes, and clothing.

How should 3-(Methoxycarbonyl)-2-nitrobenzoic acid (CAS: 861593-27-3) be stored?

3-(Methoxycarbonyl)-2-nitrobenzoic acid (CAS: 861593-27-3) should be stored in tightly sealed containers at room temperature away from direct sunlight. Keep it in a dry environment and avoid exposure to moisture and extremes of temperature. Do not store it near incompatible materials such as strong acids, bases, or reducing agents.