Basic information
- CAS
77169-12-1- Standard SMILES
O=C(O)c1cn(-c2ccccc2)nc1-c1ccccc1- InChIKey
OTDDCLPBNWLJLH-UHFFFAOYSA-N- Molecular formula
- C16H12N2O2
- Average molar mass
- 264.28 g/mol
- Monoisotopic mass
- 264.08987763
Names & identifiers
- Preferred name
- 1,3-diphenyl-1H-pyrazole-4-carboxylic acid
- IUPAC
- 1,3-diphenylpyrazole-4-carboxylic acid
- English name
- 1,3-Diphenyl-1H-pyrazole-4-carboxylic acid
- Molecular formula
- C16H12N2O2
- Molecular weight
- 264.28
Names & synonyms
1,3-diphenyl-1H-pyrazole-4-carboxylic acid77169-12-1DTXSID50357213RefChem:219071DTXCID20308272832-836-41,3-diphenylpyrazole-4-carboxylic acidMFCD004753481H-Pyrazole-4-carboxylicacid, 1,3-diphenyl-IFLab1_0015931,3-Diphenyl-1H-pyrazole-4-carboxylicacidCambridge id 5110084
Show more names
AKOS B006503VITAS-BB TBB000124BUTTPARK 145\04-52ART-CHEM-BB B0065031,3-diphenyl-4-pyrazolecarboxylate1,3-Diphenyl-1H-pyrazol-4-carboxylic acid
CBDivE_009433SCHEMBL4501557TQP11411,3-diphenylpyrazole-4-carboxylicHMS1416I09ALBB-004697BBL000001SBB020233
Database identifiers
- CAS
77169-12-1- PubChem CID
- 847409
- DTXSID
DTXSID50357213- EC Number
- 832-836-4
- Nikkaji
- J3.074.717H
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H341
- Precautionary statements
- 501 · P501-P202-P201-P264-P280-P302+P352-P308+P313-P337+P313-P305+P351+P338-P362+P364-P332+P313-P405
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- 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
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H341
- Precautionary statements
- P501-P202-P201-P264-P280-P302+P352-P308+P313-P337+P313-P305+P351+P338-P362+P364-P332+P313-P405
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers13 total
北京炎礼生物科技有限公司18600731423 · [email protected]
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Young Lively PharminBlock Co.,Ltd18600731423 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
南京诺希生物科技有限公司025-85767923 18512596075 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
苏州启航生物科技有限公司18662190603 · [email protected]
北京索美科医药科技有限公司13464564313 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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