Basic information
- CAS
68983-70-0- Standard SMILES
Cc1ccc(C2(C#N)CCCC2)cc1- InChIKey
GTHMJIFNCGSBJT-UHFFFAOYSA-N- Molecular formula
- C13H15N
- Average molar mass
- 185.26 g/mol
- Monoisotopic mass
- 185.12044948
Names & identifiers
- Preferred name
- 1-(4-Methylphenyl)cyclopentane-1-carbonitrile
- IUPAC
- 1-(4-methylphenyl)cyclopentane-1-carbonitrile
- English name
- 1-(4-Methylphenyl)-1-cyclopentanecarbonitrile
- Molecular formula
- C13H15N
- Molecular weight
- 185.26
Names & synonyms
1-(4-Methylphenyl)cyclopentane-1-carbonitrileEINECS 273-487-2DTXSID20219031NSC 154618RefChem:425915DTXCID40141522273-487-268983-70-01-(p-Tolyl)cyclopentanecarbonitrile1-(4-METHYLPHENYL)-1-CYCLOPENTANECARBONITRILE1-(4-methylphenyl)cyclopentanecarbonitrileCyclopentanecarbonitrile, 1-(4-methylphenyl)-
Show more names
LABOTEST-BB LT004408981-(P-tolyl)cyclopentane-1-carbonitrile1-(4-Methylphenyl)-1-cyclopentanecarbonitrile,98%1-(4-Methylphenyl)-1-cyclopentanecarboni- trile 98%
NSC-154618NSC154618ULS5W2DPR31-(P-TOLYL)-1-CYCLOPENTANECARBONITRILESCHEMBL2441730GTHMJIFNCGSBJT-UHFFFAOYSA-NCyclopentanecarbonitrile, 1-p-tolyl-MFCD00065261
Database identifiers
- CAS
68983-70-0- PubChem CID
- 98623
- DTXSID
DTXSID20219031- UNII
- ULS5W2DPR3
- EC Number
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Boiling point
- 158 · 158-160 °C (12 mmHg)
- Density
- 1.04 · 1.04
- refractive index
- 1.5298 · 1.5298-1.5318
- FDA UNII
- 5 W2DPR3 · ULS5W2DPR3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312-H315-H412
- Precautionary statements
- 280 · P280
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-20/21/22
- Safety Statements
- 36 · 36/37/39-26
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
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
P261, P271, P280, P302+P352, P304+P340, P317, P321, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36/37/39-26
- Hazard statements
- H302+H312-H315-H412
- Precautionary statements
- P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers7 total
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
杭州博洛科生物科技有限公司13757158499; 13757158499 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…