Ethane, isocyano-

HCID 12226

Basic information

CAS
624-79-3
Standard SMILES
[C-]#[N+]CC
InChIKey
BPCWCZCOOFUXGQ-UHFFFAOYSA-N
Molecular formula
C3H5N
Average molar mass
55.08 g/mol
Monoisotopic mass
55.04219916

Names & identifiers

Preferred name
Ethane, isocyano-
IUPAC
isocyanoethane
English name
Ethyl isocyanide
Molecular formula
C3H5N
Molecular weight
55.08

Names & synonyms

Isocyanoethane624-79-3Ethane, isocyano-DTXSID90977959RefChem:1084352DTXCID001405289210-863-7Ethylisokyanid [Czech]Ethylkarbylamin [Czech]EINECS 210-863-7SCHEMBL1103820SCHEMBL3352025
Show more names
ethyl carbylamineHANSA ISN-0734lsocyanoethaneEthyl isocyanideethyl isonitrileethyl isocyanide DISCONTINUED
SCHEMBL5633574MFCD01740118MFCD26620314AKOS005144117GS-0305NS00043371InChI=1/C3H5N/c1-3-4-2/h3H2,1HEN300-1854730

Database identifiers

CAS
624-79-3
PubChem CID
12226
DTXSID
DTXSID90977959
EC Number
210-863-7
Nikkaji
J6.855A

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
4.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
4

Physicochemical properties

Boiling point
96.85 °C · 96.85°C (estimate)
Density
0.7378 · 0.7378
refractive index
1.3607 · 1.3607
Water Solubility
999 mg/L · 999mg/L(temperature not stated)
EPA Substance Registry System
Ethane, isocyano- (624-79-3)
Symbol(GHS)
7 · GHS07,GHS02

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P316, P317, P321, P330, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

ridadr
UN2929
Signal word
Danger
Symbol(GHS)
GHS07,GHS02
hazard_class
6.1, 3
Hazard statements
H225-H302-H332-H312
Limited Quantities
100ml (liquid) or 0.5 Kg (solid)

Chemistry & industry

Applications · 1 item

UsesPrincipal use in toxicology was in the characterization of cytochrome P450 isozymes. Ethyl isocyanide and the reduced cytochrome form a characteristic optical difference spectrum with two peaks in the Soret Region (type III). The pH equilibrium point (the pH at which the two peaks are of equal height) varies between different isozymes.

Preparation methods · 1 item

PreparationCAUTION: The reaction and distillation should be conducted behind a safety shield. Precautions for handling toxic cyanides should be observed.To a three-necked flask equipped with a condenser and ground glass stirrer (or Hershberg stirrer) is added 116 gm (0.75 mole) of ethyl iodide and 100 gm (0.75 mole) of silver cyanide. The mixture is refluxed for 2 hr, the stirrer blade raised, the mixture cooled, filtered (see Note a), the solid washed with ether, dried, and 260 gm of a 50% solution of potassium cyanide (2.0 moles) added. The reaction mixture is distilled to afford a mixture of isonitrile and water (see Note b). The crude isonitrile 49.5- 52.3 gm (90-95%) is separated after being salted out of the water. The isonitrile is washed twice with 24-ml portions of ice-cold saturated sodium chloride solution, dried over magnesium sulfate, and fractionally distilled, to afford 25.9-30.3 gm (47-55%), b.p. 77-79°C (760 mm Hg).

Suppliers6 total

上海相辉医药科技有限公司13761987713 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

3 records

Compound notes

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