Basic information
- CAS
372107-08-9- Standard SMILES
O=C(O)c1cn(-c2ccccc2)nc1-c1cccs1- InChIKey
JNUDFCKYNBACDY-UHFFFAOYSA-N- Molecular formula
- C14H10N2O2S
- Average molar mass
- 270.31 g/mol
- Monoisotopic mass
- 270.04629874
Names & identifiers
- Preferred name
- 1-phenyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid
- IUPAC
- 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylic acid
- English name
- 1-PHENYL-3-THIEN-2-YL-1H-PYRAZOLE-4-CARBOXYLIC ACID
- Molecular formula
- C14H10N2O2S
- Molecular weight
- 270.31
Names & synonyms
1-phenyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid372107-08-9RefChem:435621838-644-71-phenyl-3-thiophen-2-ylpyrazole-4-carboxylic acidMFCD027058441-phenyl-3-(2-thienyl)pyrazole-4-carboxylic acidSCHEMBL6670526XPA10708SBB042837AKOS000121759CS-0218379
Show more names
AKOS BBS-000069891-PHENYL-3-THIEN-2-YL-1H-PYRAZOLE-4-CARBOXYLIC ACID1H-Pyrazole-4-carboxylic acid, 1-phenyl-3-(2-thienyl)-1-PHENYL-3-THIOPHEN-2-YL-1H-PYRAZOLE-4-CARBOXYLIC ACID
EN300-00722G34611F641536SR-01000271596SR-01000271596-1Z568396641-phenyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylicacid
Database identifiers
- CAS
372107-08-9- PubChem CID
- 976497
- EC Number
- 838-644-7
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Boiling point
- 451.4 · 451.4±30.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 3.29 · 3.29±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H335-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
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
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H319-H302-H335-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers9 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
晶墨(厦门)生物科技有限公司13621943973; 13621943973 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
常州探索化学有限公司15295164949 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
常州探索化学有限公司+8615295164949 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…