Basic information
- CAS
2286-54-6- Standard SMILES
N#CCC(c1ccccc1)c1ccccc1- InChIKey
INERKLNEVAZSCI-UHFFFAOYSA-N- Molecular formula
- C15H13N
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.10479942
Names & identifiers
- Preferred name
- 3,3-Diphenylpropiononitrile
- IUPAC
- 3,3-diphenylpropanenitrile
- English name
- 3,3-Diphenylpropiononitrile
- Molecular formula
- C15H13N
- Molecular weight
- 207.27
Names & synonyms
2286-54-63,3-DiphenylpropiononitrileEINECS 218-926-0beta-PhenylbenzenepropanenitrileDTXSID40177402RefChem:485621DTXCID2099893218-926-03,3-Diphenylpropanenitrile3,3-DiphenylpropionitrileMFCD00129747diphenylpropionitrile
Show more names
3,3-diphenylpropion3,3-DIPHENYLPROPIONTRILE3,3-Diphenylpropionitrile>3,3-DIPHENYLPROPIONITRILE 97+%Benzenepropanenitrile, β-phenyl-
3,3-Diphenyl-propionitrileBenzenepropanenitrile, beta-phenyl-ChemDiv3_000616NVN7LFX3U63,3-diphenylpropanenenitrile2-Cyano-1,1-diphenylethane3,3-Diphenylpropanenitrile #SCHEMBL3952853
Database identifiers
- CAS
2286-54-6- PubChem CID
- 75295
- DTXSID
DTXSID40177402- UNII
- NVN7LFX3U6
- EC Number
- 218-926-0
- Nikkaji
- J213.164A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 219
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 86 °C · 86 °C
- Boiling point
- 174 °C · 174 °C / 3mmHg
- Density
- 1.057 · 1.057±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Yellow to Orange
- InChI
- InChI=1S/C15H13N/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11H2
- InChIKey
- INERKLNEVAZSCI-UHFFFAOYSA-N
- SMILES
- C(CC#N)(C1C=CC=CC=1)C1C=CC=CC=1
- CAS DataBase Reference
- 2286 · 2286-54-6(CAS DataBase Reference)
- FDA UNII
- 7 LFX3U6 · NVN7LFX3U6
- Symbol(GHS)
- 7 · GHS07
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
This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.
Warning
H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 3,3-diphenylpropiononitrile (EC: 218-926-0)
Hazard Classes and CategoriesAcute Tox. 4 (14.3%)
Safety data
- rtecs
- UG1700000
- hs_code
- 2926.90.4801
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers65 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
Shanghai Medfine Bio-pharmaceutical Co., Ltd+86-86-13013810076 +86-13013810076 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
宁波亿诺化学品有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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