Basic information
- CAS
505071-98-7- Standard SMILES
Cc1ccc(C(=O)O)cc1-n1c(C)cc(C=O)c1C- InChIKey
JROHLCMQZNZGHG-UHFFFAOYSA-N- Molecular formula
- C15H15NO3
- Average molar mass
- 257.28 g/mol
- Monoisotopic mass
- 257.10519334
Names & identifiers
- Preferred name
- 3-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid
- IUPAC
- 3-(3-formyl-2,5-dimethylpyrrol-1-yl)-4-methylbenzoic acid
- English name
- AKOS BB-3024
- Molecular formula
- C15H15NO3
- Molecular weight
- 257.28
Names & synonyms
505071-98-73-(3-FORMYL-2,5-DIMETHYL-1H-PYRROL-1-YL)-4-METHYLBENZOIC ACIDDTXSID60354319RefChem:274167DTXCID90305379801-095-93-(3-formyl-2,5-dimethylpyrrol-1-yl)-4-methylbenzoic acidMLS000856505SMR0002748623-(3-Formyl-2,5-dimethyl-pyrrol-1-yl)-4-methyl-benzoic acid3-(3-FORMYL-2,5-DIMETHYL-1H-PYRROL-1-YL)-4-METHYLBENZOICACIDAKOS BB-3024
Show more names
ASISCHEM R44412CHEMBRDG-BB 64686003-(3-FORMYL-2,5-DIMETHYL-1H-PYRROL-1-YL)-4-METHYL-BENZOIC ACIDBENZOIC ACID, 3-(3-FORMYL-2,5-DIMETHYL-1H-PYRROL-1-YL)-4-METHYL-3-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid(SALTDATA: FREE)
HMS2690H04MFCD02629500cid_768641CHEMBL1565114SCHEMBL15331428BDBM52527FVA07198STL384752
Database identifiers
- CAS
505071-98-7
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 357
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H312-H315-H335-H332-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
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, P317, 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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H312-H315-H335-H332-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers5 total
成都艾娜华化学制剂有限公司028-86612776; 13699069380 · [email protected]
河南利恩化工产品有限公司03716091-9097 13383857418 · [email protected]
北京偶合科技有限公司13552068683 13522913783 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Hangzhou Huarong Pharm Co., Ltd.571-86758373 +8613588754946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…