5-chloro-2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
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Basic information
- CAS
292058-57-2- Standard SMILES
Cc1ccc(C)n1-c1ccc(Cl)cc1C(=O)O- InChIKey
ZUNYXBKRXNVRLI-UHFFFAOYSA-N- Molecular formula
- C13H12ClNO2
- Average molar mass
- 249.69 g/mol
- Monoisotopic mass
- 249.0556563
Names & identifiers
- Preferred name
- 5-chloro-2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
- IUPAC
- 5-chloro-2-(2,5-dimethylpyrrol-1-yl)benzoic acid
- English name
- 5-CHLORO-2-(2,5-DIMETHYL-PYRROL-1-YL)-BENZOIC ACID
- Molecular formula
- C13H12ClNO2
- Molecular weight
- 249.69
Names & synonyms
292058-57-25-chloro-2-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acidRefChem:534408830-088-35-Chloro-2-(2,5-dimethyl-pyrrol-1-yl)-benzoic acid5-chloro-2-(2,5-dimethylpyrrol-1-yl)benzoic acidBIM-0038642.P0015-chloro-2-(2,5-dimethyl-1-pyrrolyl)benzoic acidCBMicro_038426Oprea1_160591Oprea1_591782CHEMBL213849
Show more names
5-CHLORO-2-(2,5-DIMETHYL-1H-PYRROL-1-YL)-BENZOIC ACIDBenzoic acid, 5-chloro-2-(2,5-dimethyl-1H-pyrrol-1-yl)-
cid_767153SCHEMBL13856184BDBM42112SLA05857EBC-06631MFCD02108882AKOS000285736CCG-106255
Database identifiers
- CAS
292058-57-2- PubChem CID
- 767153
- ChEMBL
CHEMBL213849- EC Number
- 830-088-3
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Symbol(GHS)
- 5 · GHS05,GHS08
- Signal word
- Danger
- Hazard statements
- 314 · H314-H341
- Precautionary statements
- 501 · P501-P202-P201-P264-P280-P308+P313-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS08
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H314-H341
- Precautionary statements
- P501-P202-P201-P264-P280-P308+P313-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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