1,2,5-Oxadiazole-3-carboxylic acid

Basic Information

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CAS Number

88598-08-7

Molecular Formula

C3H2N2O3

Molecular Weight

114.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

102 °C

Density

1.601±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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C1=NON=C1C(=O)O

InChI

InChI=1S/C3H2N2O3/c6-3(7)2-1-4-8-5-2/h1H,(H,6,7)

InChIKey

JBLHCUQCDKBPGY-UHFFFAOYSA-N

LogP

-0.23220000000000002

Topological Polar Surface Area

76.22 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

105

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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID
Furazan-3-carboxylic acid
Furazancarboxylic acid
JBLHCUQCDKBPGY-UHFFFAOYSA-N
1,2,5-Oxadiazole-3-carboxylicacid
1,2,5-oxadiazole, OXD4
BDBM23236
SBB002780
STK686541
EBD211560
AB06534
EN002385
ST057550
AB0027303
ST2408421
W9121
1,2,5-oxadiazole-3-carboxylic acid, AldrichCPR
1,2,5-oxadiazole-3-carboxylic acid
Furazancarboxylic acid (ZCI)
2,1,3-Oxadiazole-4-carboxylic acid
MFCD00604386
CS-W003930
88598-08-7
EN300-94211
PS-9238
Z1201620383
BP-10208
SCHEMBL264201
AKOS003242003
C3H2N2O3
DTXSID90362841

MDL Number

MFCD00604386

Customs Code

2934999090

FAQ

What regulatory guidelines apply to 1,2,5-Oxadiazole-3-carboxylic acid (CAS: 88598-08-7)?

1,2,5-Oxadiazole-3-carboxylic acid (CAS: 88598-08-7) falls under the scope of various international and regional regulations, including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the EU, and FDA and EPA guidelines in the USA. Regulatory bodies require proper labelling, handling, and disposal procedures to ensure safety and environmental protection.

Are there alternatives to 1,2,5-Oxadiazole-3-carboxylic acid (CAS: 88598-08-7) in synthesis?

Alternatives to 1,2,5-Oxadiazole-3-carboxylic acid (CAS: 88598-08-7) include other heterocyclic compounds with similar functional groups, such as isoxazoles and thiadiazoles. Common alternative reagents in synthesis include sulfuryl chloride, thionyl chloride, and other carbonylation reagents. These alternatives offer similar reactivity and can be chosen based on the specific needs of the synthesis process.

What is the market or research trend for 1,2,5-Oxadiazole-3-carboxylic acid (CAS: 88598-08-7)?

The market for 1,2,5-Oxadiazole-3-carboxylic acid (CAS: 88598-08-7) is growing due to its application in pharmaceuticals, agrochemicals, and organic synthesis. Research trends focus on exploring its use as a precursor in the development of new drugs and crop protection agents. Additionally, there is increasing interest in its use as a building block for synthesizing complex molecules with unique properties.

How should waste containing 1,2,5-Oxadiazole-3-carboxylic acid (CAS: 88598-08-7) be handled?

Waste containing 1,2,5-Oxadiazole-3-carboxylic acid (CAS: 88598-08-7) should be carefully collected and stored in appropriate containers to prevent spillage. It should then be disposed of by incineration or professional waste disposal services that comply with local regulations. Environmental precautions include ensuring that any liquid waste is neutralized and treated before disposal to minimize environmental impact.