5-Nitrothiophene-3-carboxylic acid
Properties
- Molecular formula
- C5H3NO4S
- Molar mass
- 173.14 g/mol
- Exact mass
- 172.9783 Da
- logP
- 1.35Crippen estimate
- Polar surface area
- 80.4 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 2
Hazards
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled14.3% of notifiers
- H302 Harmful if swallowed14.3% of notifiers
- H312 Harmful in contact with skin14.3% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled14.3% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
40357-96-8SMILES
C1=C(SC=C1C(=O)O)[N+](=O)[O-]InChIKey
VNJUNWUOAKEIKG-UHFFFAOYSA-NInChI
InChI=1S/C5H3NO4S/c7-5(8)3-1-4(6(9)10)11-2-3/h1-2H,(H,7,8)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 2-Nitrothiophene-4-carboxylic acid
Work with 5-Nitrothiophene-3-carboxylic acid
Similar compounds
5-Nitroisophthalic acid618-88-262 % similar
3,5-Dinitrobenzoic acid99-34-362 % similar
3-Bromo-5-nitrobenzoic acid6307-83-154 % similar
4-Nitrobenzoic acid62-23-753 % similar
3,4-Dinitrobenzoic acid528-45-053 % similar
3-Fluoro-5-nitrobenzoic acid14027-75-953 % similar
3-Amino-5-nitrobenzoic acid618-84-853 % similar
2,4,6-Trinitrobenzoic acid129-66-851 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.