Basic information
- CAS
13097-01-3- Standard SMILES
c1ccc(-c2n[nH]c3ccccc23)cc1- InChIKey
MXBKCOLSUUYOHT-UHFFFAOYSA-N- Molecular formula
- C13H10N2
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.08439832
Names & identifiers
- Preferred name
- 3-phenyl-1H-indazole
- IUPAC
- 3-phenyl-1H-indazole
- English name
- 3-Phenyl-1H-indazole
- Molecular formula
- C13H10N2
- Molecular weight
- 194.23
Names & synonyms
3-phenyl-1H-indazole13097-01-3DTXSID70306243RefChem:95308DTXCID60257371876-213-51H-Indazole, 3-phenyl-1H-Indazole,3-phenylMFCD03233075MLS000095818CHEMBL315708SMR000031366
Show more names
3-Phenyl-2H-indazolephenylindazole3-phenylindazoleNSC174752ChemDiv3_013010SCHEMBL694496SCHEMBL855531cid_300385
Database identifiers
- CAS
13097-01-3- PubChem CID
- 300385
- DTXSID
DTXSID70306243- ChEMBL
CHEMBL315708- EC Number
- 876-213-5
- Nikkaji
- J1.819.051F、J660.885J
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Experimental & physicochemical properties
LogP3.79
Physicochemical properties
- Melting point
- 115 · 115-116 °C
- Boiling point
- 405.1 · 405.1±14.0 °C(Predicted)
- Density
- 1.211 · 1.211±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 13.66 · 13.66±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 305 · P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Suppliers33 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
上海超悦化学科技有限公司（原上海斯比德化学）21-65679720 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
杭州扬德医药科技有限公司0571-81953185 +86-15381198709 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
Related reactions
14 records
Compound notes
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