Basic information
- CAS
4254-02-8- Standard SMILES
N#CC1CCCC1- InChIKey
SVPZJHKVRMRREG-UHFFFAOYSA-N- Molecular formula
- C6H9N
- Average molar mass
- 95.14 g/mol
- Monoisotopic mass
- 95.07349929
Names & identifiers
- Preferred name
- Cyclopentanecarbonitrile
- IUPAC
- cyclopentanecarbonitrile
- English name
- Cyclopentanecarbonitrile
- Molecular formula
- C6H9N
- Molecular weight
- 95.14
Names & synonyms
Cyclopentanecarbonitrile4254-02-8EINECS 224-229-2DTXSID70195331RefChem:580976DTXCID80117822224-229-2CyanocyclopentaneCyclopentyl cyanideCyclopentanenitrile1-Cyanocyclopentanecyclopentane carbonitrile
Show more names
TIMTEC-BB SBB008886Cyclopentanecarbonitrile,98%Cyanocyclopentane, Cyclopentyl cyanideCYCLOPENTANECARBONITRILE ISO 9001：2015 REACH
Cyclopentyl NitrileMFCD00013741K6Y8BG5QK2Cyclopentanecarbonitrile, 98%C3167EN300-49542Z285131394cyclopentankohlenitrile
Database identifiers
- CAS
4254-02-8- PubChem CID
- 77935
- DTXSID
DTXSID70195331- UNII
- K6Y8BG5QK2
- EC Number
- 224-229-2
- Nikkaji
- J205.667D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 92
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Melting point
- 76 °C · −76 °C(lit.)
- Boiling point
- 67 · 67-68 °C10 mm Hg(lit.)
- Density
- 0.912 g/mL · 0.912 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.441(lit.)
- Flash point
- 132 °F · 132 °F
- storage temp.
- 2 · Storage temp. 2-8°C
- solubility
- Miscible with toluene.
- form
- clear liquid
- color
- Colorless to Almost colorless
- BRN
- 1098717 · 1098717
- Exposure limits
- 25 mg/m3 · NIOSH: IDLH 25 mg/m3
- InChI
- InChI=1S/C6H9N/c7-5-6-3-1-2-4-6/h6H,1-4H2
- InChIKey
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
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1992 3/PG 3
- hs_code
- 29269090
- risk_code
- 25-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06
- hazard_code
- T
- safety_code
- 26-45
- hazard_class
- 6.1
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H226-H301-H315-H319-H335
Chemistry & industry
Applications
UsesCyano substituted cyclopentane which can be converted into cyanohydrin glucosides by Passiflora morifolia and Turnera angustifolia.
UsesCyclopentanecarbonitrile is used as a substrate and reagent to investigate the specific activity of nitrile and amide hydrolyzing enzymes isolated from candida guilliermondii cells. It is also used to prepare cyclopentanecarboxamide by using tetrabutylammonium hydrogen sulfate as a catalyst in the presence of reagents such as aqueous hydrogen peroxide and sodium hydroxide.
General DescriptionCyclopentanecarbonitrile is an alicyclic nitrile.
Upstream & downstream products
Downstream products
Suppliers92 total
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）
Related reactions
21 records
Compound notes
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