CAS 68498-54-4 Cyclopentyl Isocyanide (HCID 2734784)

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Basic information

CAS: 68498-54-4
Standard SMILES: [C-]#[N+]C1CCCC1
InChIKey: XTLSDEJNOQVCHL-UHFFFAOYSA-N
Molecular formula: C6H9N
Average molar mass: 95.14 g/mol
Monoisotopic mass: 95.07349929

Names & identifiers

Preferred name: Cyclopentyl Isocyanide
IUPAC: isocyanocyclopentane
English name: Cyclopentyl isocyanide
Molecular formula: C6H9N
Molecular weight: 95.15

Names & synonyms

cyclopentyl isocyanide68498-54-4DTXSID50370503RefChem:336091DTXCID30321538808-029-8CyclopentylisocyanideIsocyanocyclopentaneMFCD02664624Isocyano-cyclopentanIsocyano-cyclopentanecyclopentyl isonitrile

Show more names

1-Cyclopentyl isonitrileCyclopentyl Isocyanide >Cyclopentyl isocyanide,96%Cyclopentyl isocyanide, 96% 1GRCyclopentyl isocyanideIsocyanocyclopentane

3-Isocyano-cyclopentaneSCHEMBL998375XTLSDEJNOQVCHL-UHFFFAOYSA-NGEO-02903AKOS007930589FC60768AS-57622SY050646

Database identifiers

CAS: 68498-54-4
PubChem CID: 2734784
DTXSID: DTXSID50370503
EC Number: 808-029-8
Nikkaji: J706.409H

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 4.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 92

Physicochemical properties

Boiling point: 40 °C · 40 °C (8.2511 mmHg)
Density: 0.86 · 0.86
refractive index: 1.439 · 1.439-1.441
storage temp.: Refrigerator (+4°C)
form: Liquid
color: Clear colorless to yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H302+H312+H332-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 36 · 36/37/39-26
RIDADR: 2810 · UN2810
HazardClass: 6.1 · 6.1
HS Code: 29299000 · 29299000

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H227 (66.7%): Combustible liquid [Warning Flammable liquids]

P210, 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, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 4 (66.7%)

Safety data

ridadr: UN2810
hs_code: 29299000
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 36/37/39-26
hazard_class: 6.1
Hazard statements: H319-H302+H312+H332-H315
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362