Basic information
- CAS
32446-66-5- Standard SMILES
N#Cc1ccc(C(=O)c2ccc(C#N)cc2)cc1- InChIKey
UKOXPTLWNQHMJV-UHFFFAOYSA-N- Molecular formula
- C15H8N2O
- Average molar mass
- 232.24 g/mol
- Monoisotopic mass
- 232.06366288
Names & identifiers
- Preferred name
- p,p'-Dicyanobenzophenone
- IUPAC
- 4-(4-cyanobenzoyl)benzonitrile
- English name
- N-(2-Amino-benzothiazol-6-yl)-acetamide
- Molecular formula
- C15H8N2O
- Molecular weight
- 232.24
Names & synonyms
4,4'-DicyanobenzophenoneBenzonitrile, 4,4'-carbonylbis-p,p'-DicyanobenzophenoneLDF6VS0MD5Benzonitrile, 4,4'-carbonyldi-UNII-LDF6VS0MD5DTXSID50443120RefChem:202460DTXCID2039394132446-66-54-(4-cyanobenzoyl)benzonitrile4,4'-CARBONYLDIBENZONITRILE
Show more names
AKOS BB-8277ASISCHEM Z25293IFLAB-BB F0909-0068Letrozole Impurity 5Letrozole Impurity 17Bis(4-cyanophenyl) Ketone
MFCD07367965Letrozole Impurity 254,4'-dicyano-benzophenoneSCHEMBL3433075UKOXPTLWNQHMJV-UHFFFAOYSA-NAKOS005216818AB31511AC-14356
Database identifiers
- CAS
32446-66-5- PubChem CID
- 10657191
- DTXSID
DTXSID50443120- UNII
- LDF6VS0MD5
- EC Number
- 881-185-2
- Nikkaji
- J584.598J
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 357
Physicochemical properties
- Melting point
- 162 °C · 162 °C
- Boiling point
- 457.8 · 457.8±30.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Light Brown to Brown
- CAS DataBase Reference
- 32446 · 32446-66-5(CAS DataBase Reference)
- FDA UNII
- 6 VS0MD5 · LDF6VS0MD5
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Applications
UsesLetrozole intermediate.
Upstream & downstream products
Upstream raw materials
Suppliers76 total
苏州道澜生物医药科技有限公司15952404857 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州隽沐生物科技股份有限公司
Related reactions
3 records
Compound notes
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