Cyclopropylacetonitrile (HCID 643447)

Names & identifiers

Preferred name: Cyclopropylacetonitrile
IUPAC: 2-cyclopropylacetonitrile
English name: Cyclopropylacetonitrile
Molecular formula: C5H7N
Molecular weight: 81.12

Names & synonyms

cyclopropylacetonitrile6542-60-5cyclopropaneacetonitrileDTXSID20349180RefChem:129952DTXCID80300252FAUQRRGKJKMEIW-UHFFFAOYSA-NInChI=1/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2-cyclopropylacetonitrile2-cyclopropylethanenitrileMFCD00041523cyclopropyl acetonitrile

Show more names

DFF2CPANDFF40DFF-40)CyclopropylacetonitrilCyclopropylacetonitrile (CPA)

(cyanomethyl)cyclopropaneAKOS005207232EN300-76167AS06097AM20100595FT-0636177FT-06863932-Cyclopropylacetonitrile;

Database identifiers

CAS: 6542-60-5
PubChem CID: 643447
DTXSID: DTXSID20349180
EC Number: 628-930-8
Nikkaji: J609.638G

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 83.4

Experimental & physicochemical properties

SpringerMaterials PropertiesCoriolis coupling

Physicochemical properties

Boiling point: 142 · 142-144 °C(lit.)
Density: 0.878 g/mL · 0.878 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.4235(lit.)
Flash point: 111 °F · 111 °F
storage temp.: 2 · 2-8°C
form: Liquid
color: Clear colorless to pale yellow
Water Solubility: Miscible with water, methylene chloride and alcohols.
BRN: 2036964 · 2036964
InChI: InChI=1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2
InChIKey: FAUQRRGKJKMEIW-UHFFFAOYSA-N
SMILES: C1(CC#N)CC1
CAS DataBase Reference: 6542 · 6542-60-5(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 226 · H226
Precautionary statements: 210 · P210-P233-P240-P241-P242-P243
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: T
Risk Statements: 10 · 10-68-23/24/25
Safety Statements: 26 · 26-36/37/39-45-36/37-23
RIDADR: 1993 · UN 1993 3/PG 2
WGK Germany: 3 · 3
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29269090 · 29269090
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 · Flam. Liq. 3
Limited Quantities: 100 ml · 100ml (liquid) or 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P262, P264, P270, P280, P302+P352, P303+P361+P353, P316, P318, P321, P361+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 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 1993 3/PG 2
hs_code: 29269090
risk_code: 10-68-23/24/25
Signal word: Warning
Symbol(GHS): GHS02
hazard_code: T
safety_code: 26-36/37/39-45-36/37-23
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
Hazard statements: H226
Limited Quantities: 100ml (liquid) or 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Flam. Liq. 3
Precautionary statements: P210-P233-P240-P241-P242-P243

Chemistry & industry

Applications · 1 item

UsesCyclopropylacetonitrile is used in the preparation of cyclopropyl-2 acetophenone and cyclopropylacetyl chloride. It acts as an organic intermediate in organic synthesis. It is also employed in the preparation of agrochemicals, pharmaceuticals and dyestuff fields.