1-(4-Methoxyphenyl)cyclopentanecarbonitrile
Basic information
- CAS
1206-15-1- Standard SMILES
COc1ccc(C2(C#N)CCCC2)cc1- InChIKey
DOZAMVFROCVJLO-UHFFFAOYSA-N- Molecular formula
- C13H15NO
- Average molar mass
- 201.26 g/mol
- Monoisotopic mass
- 201.1153641
Names & identifiers
- Preferred name
- 1-(4-Methoxyphenyl)cyclopentanecarbonitrile
- IUPAC
- 1-(4-methoxyphenyl)cyclopentane-1-carbonitrile
- English name
- 1-(4-METHOXYPHENYL)-1-CYCLOPENTANECARBONITRILE
- Molecular formula
- C13H15NO
- Molecular weight
- 201.26
Names & synonyms
1-(4-Methoxyphenyl)cyclopentanecarbonitrile1206-15-1EINECS 214-890-5DTXSID30152920NSC 154614RefChem:74523DTXCID8075411214-890-51-(4-methoxyphenyl)cyclopentane-1-carbonitrile1-(4-Methoxyphenyl)-1-cyclopentanecarbonitrileMFCD00065276NSC-154614
Show more names
1-(4-Methoxyphenyl)-1-cyclopentanecarbonitrile,97%
Cyclopentanecarbonitrile, 1-(4-methoxyphenyl)-NSC154614SCHEMBL1019336DOZAMVFROCVJLO-UHFFFAOYSA-NALBB-005937AC3194SBB0168991-(p-Methoxyphenyl)cyclopentanenitrile
Database identifiers
- CAS
1206-15-1- PubChem CID
- 71008
- DTXSID
DTXSID30152920- UNII
- 9E92F34C62
- EC Number
- 214-890-5
- Nikkaji
- J217.052C
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 135 · 135-139 °C (3 mmHg)
- Density
- 1.0862 · 1.0862
- refractive index
- 1.536 · 1.536-1.538
- CAS DataBase Reference
- 1206 · 1206-15-1
- FDA UNII
- 9 E92F34C62 · 9E92F34C62
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H332-H312
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 36 · 36/37/39-26
- HazardClass
- IRRITANT
- HS Code
- 29269095 · 29269095
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 29269095
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36/37/39-26
- hazard_class
- IRRITANT
- Hazard statements
- H302-H332-H312
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501
Chemistry & industry
Upstream & downstream products
Downstream products
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Compound notes
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