Basic information
- CAS
7150-12-1- Standard SMILES
O=C(O)C1CC1(c1ccccc1)c1ccccc1- InChIKey
YITOQLBHYDWJBQ-UHFFFAOYSA-N- Molecular formula
- C16H14O2
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.09937969
Names & identifiers
- Preferred name
- 2,2-Diphenylcyclopropanecarboxylic acid
- IUPAC
- 2,2-diphenylcyclopropane-1-carboxylic acid
- English name
- 2,2-Diphenyl-cyclopropanecarboxylic acid
- Molecular formula
- C16H14O2
- Molecular weight
- 238.28
Names & synonyms
2,2-Diphenylcyclopropanecarboxylic acid7150-12-1EINECS 230-484-0NSC 74083RefChem:81119230-484-02,2-Diphenyl-cyclopropanecarboxylic acid2,2-diphenylcyclopropane-1-carboxylic acidMFCD00511119Cambridge id 5216690NCIOpen2_003857Oprea1_450550
Show more names
AKOS AU36-M812,2-DIPHENYL-CYCLOPROPCyclopropanecarboxylic acid, 2,2-diphenyl-Valnemulin Impurity 5 (Valnemulin EP Impurity E)
Oprea1_731512CBDivE_006678MLS001210771SCHEMBL8097471CHEMBL1391412DTXSID601373058HMS2827P18ALBB-034210
Database identifiers
- CAS
7150-12-1- PubChem CID
- 98071
- DTXSID
DTXSID601373058- ChEMBL
CHEMBL1391412- EC Number
- 230-484-0
- Nikkaji
- J227.410H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Melting point
- 166 · 166-169 °C
- Boiling point
- 403 · 403.0±45.0 °C(Predicted)
- Density
- 1.239 · 1.239±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solids
- pka
- 4.4 · 4.40±0.11(Predicted)
- color
- Brown to Dark Brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2,2-Diphenylcyclopropanecarboxylic Acid is an intermediate in the synthesis of Cibenzoline, an antiarrhythmic drug that relieves the outflow tract obstruction of hypertrophic obstructive cardiomyopathy (HOCM).
Suppliers15 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
贵州易妥化学科技有限公司18628235590 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Related reactions
1 records
Compound notes
Loading…