Basic information
- CAS
909857-88-1- Standard SMILES
COc1ccc(-c2cc(C(=O)O)[nH]n2)cc1OC- InChIKey
OQDOERKDGCEBFR-UHFFFAOYSA-N- Molecular formula
- C12H12N2O4
- Average molar mass
- 248.23 g/mol
- Monoisotopic mass
- 248.07970687
Names & identifiers
- Preferred name
- 3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
- IUPAC
- 3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
- English name
- 5-(3,4-Dimethoxy-phenyl)-2H-pyrazole-3-carboxylic acid
- Molecular formula
- C12H12N2O4
- Molecular weight
- 248.23
Names & synonyms
3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acidRefChem:491446820-800-0909857-88-15-(3,4-Dimethoxy-phenyl)-2H-pyrazole-3-carboxylic acid5-(3,4-DIMETHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACIDMFCD030301711H-pyrazole-5-carboxylic acid, 3-(3,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)pyrazole-5-carboxylic acidMLS000070949BAS 06804321CHEMBL1447227
Show more names
ST5024733SMR000013948AKOS BBS-000037501H-Pyrazole-3-carboxylic acid, 5-(3,4-dimethoxyphenyl)-
SCHEMBL141529043-(3,4-dimethoxyphenyl)-1{H}-pyrazole-5-carboxylic acidDTXSID20349468HMS2320B24ALBB-012504SBB040534STK741269AKOS000139566
Database identifiers
- CAS
909857-88-1- PubChem CID
- 649042
- DTXSID
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
- 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)
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_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H319-H302-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers11 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
西安凯翔医药科技有限公司029-86538357
Clearsynth Labs Limited+91-22-26355700 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
重庆康合悦成医药科技有限公司023-61183015; 13271886913 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
北京盛世利科技有限公司+86-13910445483; +8613910445483 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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