2-Methyl-5-nitrobenzenesulfonic acid

Basic Information

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CAS Number

121-03-9

Molecular Formula

C7H7NO5S

Molecular Weight

217.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

135°C

Boiling Point

500°C (rough estimate)

Refractive Index

1.6100 (estimate)

SMILES

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CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C7H7NO5S/c1-5-2-3-6(8(9)10)4-7(5)14(11,12)13/h2-4H,1H3,(H,11,12,13)

InChIKey

ZDTXQHVBLWYPHS-UHFFFAOYSA-N

LogP

2.75390

Complexity

314

Safety Information

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Hazard Statement

H290 May be corrosive to metals
Corrosive to Metals

H303 May be harmful if swallowed
Acute toxicity, oral

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

5-Nitro-o-toluenesulfonic acid
5-nitro-o-toluenesulphonic acid
2-METHYL-5-NITROBENZENESULFONIC ACID [HSDB]
EINECS 204-445-3
2-Toluenesulfonic acid, 5-nitro
p-Nitrotoluene-o-sulfonic acid
Benzenesulfonic acid, 2-methyl-5-nitro-
CHEBI:67120
DTXCID506975
WLN: WSQR B1 ENW
4-Nitrotoluene-2-sulfonic Acid Hydrate
5-nitro-2-methylbenzenesulphonic acid
o-Toluenesulfonic acid, 5-nitro-
4-mitro-2-toluenesulphonic acid
UNII-JBO1Z0PMOH
4-Nitro-2-toluenesulfonic acid
CAS-121-03-9
NSC9580
HSDB 5470
2-METHYL-5-NITROBENZENESULFONIC ACID
p-Nitrotoluolsulfosaure
CS-M3300
p-nitrotoluene-2-sulphonic acid
NCGC00257106-01
BS-22427
W-108462
NSC 9580
Kyselina 4-nitrotoluen-2-sulfonova
Tox21_202190
Tox21_303151
NS00003565

MDL Number

MFCD00024914

Customs Code

2904909090

FAQ

What is 2-Methyl-5-nitrobenzenesulfonic acid (CAS: 121-03-9)?

2-Methyl-5-nitrobenzenesulfonic acid is a chemical compound with the formula C7H7NO3S. It is a white crystalline solid with a pungent odor and is used in various industrial, pharmaceutical, and research applications.

What are the main uses of 2-Methyl-5-nitrobenzenesulfonic acid (CAS: 121-03-9)?

2-Methyl-5-nitrobenzenesulfonic acid is primarily used as a reagent in organic synthesis, dye intermediates, and as a chemical intermediate for the production of other compounds. It is also utilized in the pharmaceutical industry for the synthesis of certain drugs and in research for its reactivity with functional groups.

Is 2-Methyl-5-nitrobenzenesulfonic acid (CAS: 121-03-9) safe?

2-Methyl-5-nitrobenzenesulfonic acid is generally considered safe when handled with proper safety measures. It is slightly toxic by ingestion and inhalation. Users should wear appropriate protective equipment, such as gloves and goggles, and ensure good ventilation. Storage should be in a cool, dry place, away from heat and sources of ignition.

How should 2-Methyl-5-nitrobenzenesulfonic acid (CAS: 121-03-9) be stored?

2-Methyl-5-nitrobenzenesulfonic acid should be stored in a cool, dry, and well-ventilated area away from heat and sources of ignition. It should be kept in a tightly closed container to avoid exposure to moisture and light. The storage temperature should not exceed 25°C, and the product should be protected from direct sunlight and humidity.