Basic information
- CAS
71172-78-6- Standard SMILES
Cc1ccc(C2(C#N)CC2)cc1- InChIKey
NMDIWHQRZLXXNV-UHFFFAOYSA-N- Molecular formula
- C11H11N
- Average molar mass
- 157.21 g/mol
- Monoisotopic mass
- 157.08914935
Names & identifiers
- Preferred name
- 1-(p-Tolyl)cyclopropanecarbonitrile
- IUPAC
- 1-(4-methylphenyl)cyclopropane-1-carbonitrile
- English name
- 1-(4-Methylphenyl)-1-cyclopropanecarbonitrile
- Molecular formula
- C11H11N
- Molecular weight
- 157.21
Names & synonyms
71172-78-61-(4-METHYLPHENYL)-1-CYCLOPROPANECARBONITRILE1-(4-methylphenyl)cyclopropanecarbonitrile1-(p-Tolyl)cyclopropanecarbonitrile1-(4-methylphenyl)cyclopropane-1-carbonitrileJ2Y3R9QBH4EINECS 275-240-4NSC-155168DTXSID50221369NSC 155168CYCLOPROPANECARBONITRILE, 1-(4-METHYLPHENYL)-RefChem:74763
Show more names
1-(4-ethylphenyl)-1-cyclopropanecarbonitrile1-(4-Methylphenyl)-1-cyclopropanecarbonitirle1-(4-METHYLPHENYL)-1-CYCLOPROPANECARBONITRILE, 95
DTXCID00143860275-240-4MFCD000652281-p-tolylcyclopropanecarbonitrileNSC155168UNII-J2Y3R9QBH4SCHEMBL10204341-p-tolylcyclopropane-1-carbonitrile
Database identifiers
- CAS
71172-78-6- PubChem CID
- 98628
- DTXSID
DTXSID50221369- UNII
- J2Y3R9QBH4
- EC Number
- 275-240-4
- Nikkaji
- J267.425D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Boiling point
- 271.88 °C · 271.88°C (rough estimate)
- Density
- 0.99 · 0.99
- refractive index
- 1.5333 · 1.5333-1.5353
- FDA UNII
- 2 Y3R9QBH4 · J2Y3R9QBH4
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 24 · 24/25
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
- risk_code
- 20/21/22
- hazard_code
- Xn
- safety_code
- 24/25
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers30 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
山东李比希生物医药科技有限公司17866677155 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
杭州莱晟生物科技有限公司13456210265 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海旭仁化学科技有限公司021-31007982 18019432809 · [email protected]
河北晨药生物科技有限公司13273277291 17611379171 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
苏州市晨科生物科技有限公司18662408853 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
Related reactions
1 records
Compound notes
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