Basic information
- CAS
42779-82-8- Standard SMILES
Cc1cc(CC(=O)O)c(C)n1-c1ccc(Cl)cc1- InChIKey
SJCRQMUYEQHNTC-UHFFFAOYSA-N- Molecular formula
- C14H14ClNO2
- Average molar mass
- 263.72 g/mol
- Monoisotopic mass
- 263.0713064
Overview
Clopirac is a member of pyrroles.
Names & identifiers
- Preferred name
- Clopirac
- IUPAC
- 2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid
- English name
- 1-(4-chlorophenyl)-2,5-dimethyl-1h-pyrrole-3-aceticaci
- Molecular formula
- C14H14ClNO2
- Molecular weight
- 263.72
Names & synonyms
CLOPIRAC42779-82-8ClopiracoClopiracumBRL 13856CP-172APDTXSID9046158CP 172 APCP-172-APBRL-13856J23127WJYB1H-Pyrrole-3-acetic acid, 1-(4-chlorophenyl)-2,5-dimethyl-
Show more names
1-(4-chlorophenyl)-2,5-dimethyl-1h-pyrrole-3-aceticacid2-(1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)acetic acid
DTXCID70261581-p-Chlorophenyl-2,5-dimethyl-3-pyrroleacetic acidRefChem:577742255-938-52-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetic acid1-(4-chlorophenyl)-2,5-dimethyl-1h-pyrrole-3-aceticaci2-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetic acid
Database identifiers
- CAS
42779-82-8- PubChem CID
- 39299
- DTXSID
DTXSID9046158- ChEMBL
CHEMBL1718918- ChEBI
CHEBI:135087- UNII
- J23127WJYB
- EC Number
- 255-938-5
- Nikkaji
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Boiling point
- 429.1 · 429.1±45.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 4.38 · 4.38±0.10(Predicted)
- FDA UNII
- 23127 WJYB · J23127WJYB
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesAnti-inflammatory.
Upstream & downstream products
Upstream raw materials
Suppliers7 total
BOC Sciences16314854226; +8616314854226 · [email protected]
宿州利元生物医药科技有限公司15556287180 15556287180 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
济南九黎生物科技有限公司15865264761 · [email protected]
Additional notes
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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