Basic information
- CAS
72928-30-4- Standard SMILES
CCCCCCCc1ccc(-c2ccc(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)cc2)cc1- InChIKey
YTSKNVPWUIOPIL-UHFFFAOYSA-N- Molecular formula
- C33H31NO2
- Average molar mass
- 473.6 g/mol
- Monoisotopic mass
- 473.23547923
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-4-carboxylic acid, 4'-heptyl-, 4'-cyano(1,1'-biphenyl)-4-yl ester
- IUPAC
- [4-(4-cyanophenyl)phenyl] 4-(4-heptylphenyl)benzoate
- English name
- 4'-cyano[1,1'-biphenyl]-4-yl 4'-heptyl[1,1'-biphenyl]-4-carboxylate
- Molecular formula
- C33H31NO2
- Molecular weight
- 473.60474
Names & synonyms
EINECS 277-064-3[1,1'-Biphenyl]-4-carboxylic acid, 4'-heptyl-, 4'-cyano[1,1'-biphenyl]-4-yl esterDTXSID30726644'-CYANO[1,1'-BIPHENYL]-4-YL 4'-HEPTYL[1,1'-BIPHENYL]-4-CARBOXYLATE4-Cyano-4'-biphenyl 4-heptylbiphenyl-4'-carboxylate4'-Cyano(1,1'-biphenyl)-4-yl 4'-heptyl(1,1'-biphenyl)-4-carboxylate(1,1'-Biphenyl)-4-carboxylic acid, 4'-heptyl-, 4'-cyano(1,1'-biphenyl)-4-yl esterRefChem:204014DTXCID9047417277-064-372928-30-47CBB
Show more names
4-(4-cyanophenyl)phenyl] 4-(4-heptylphenyl)benzoate4'-Heptylbiphenyl-4-carboxylic acid 4'-cyano-4-biphenylyl ester4'-Heptylbiphenyl-4-carboxylic acid 4'-cyanobiphenyl-4-yl ester4'-Heptyl-1,1'-biphenyl-4-carboxylic acid 4'-cyano-4-biphenylyl ester4'-Heptyl[1,1'-biphenyl]-4-carboxylic acid 4'-cyano[1,1'-biphenyl]-4-yl ester
SCHEMBL7948370YTSKNVPWUIOPIL-UHFFFAOYSA-NNS00037438
Properties
Computed structural properties
- XLogP
- 9.8
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 678
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Physicochemical properties
- EPA Substance Registry System
- 1 · [1,1'-Biphenyl]-4-carboxylic acid, 4'-heptyl-, 4'-cyano[1,1'-biphenyl]-4-yl ester (72928-30-4)
- TSCA
- TSCA listed
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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
Regulatory InformationChemical: [1,1'-Biphenyl]-4-carboxylic acid, 4'-heptyl-, 4'-cyano[1,1'-biphenyl]-4-yl ester
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[1,1'-Biphenyl]-4-carboxylic acid, 4'-heptyl-, 4'-cyano[1,1'-biphenyl]-4-yl ester: ACTIVE
Suppliers3 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
石家庄晔晟化工科技有限公司18031147013 18031147013 · [email protected]
山东彬睿特新材料有限公司0533-2866658 15615638350 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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