Carbonocyanidic acid, methyl ester (HCID 28660)

Names & identifiers

Preferred name: Carbonocyanidic acid, methyl ester
IUPAC: methyl cyanoformate
English name: Methyl cyanoformate
Molecular formula: C3H3NO2
Molecular weight: 85.06

Names & synonyms

Methyl cyanoformate17640-15-2Carbonocyanidic acid, methyl esterCyanoformate methyl esterCyklon A [Czech]Cyklon AFORMIC ACID, CYANO-, METHYL ESTEREINECS 241-626-6BRN 1742994Methylester kyseliny kyanmravenci [Czech]Methylester kyseliny kyanmravenciDTXSID1066235

Show more names

cyklonaCH3OC(O)CNMethylcyanomethanoatecyanoformatemethylesterCyanoformic acid methylMethyl cyanoforMate 99%

3-02-00-01587 (Beilstein Handbook Reference)RefChem:574555DTXCID0035615241-626-6methyl carbonocyanidate7S9M7F9JLTmethane, [(cyanocarbonyl)oxy]-2-methoxy-2-oxoacetonitrile

Database identifiers

CAS: 17640-15-2
PubChem CID: 28660
DTXSID: DTXSID1066235
UNII: 7S9M7F9JLT
EC Number: 241-626-6
Nikkaji: J47.920I

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 50.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 98.6

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Physicochemical properties

Melting point: 185 · 185-186 °C
Boiling point: 100 · 100-101 °C (lit.)
Density: 1.072 g/mL · 1.072 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.374(lit.)
Flash point: 79 °F · 79 °F
form: liquid
BRN: 1742994 · 1742994
InChI: 1S/C3H3NO2/c1-6-3(5)2-4/h1H3
InChIKey: OBWFJXLKRAFEDI-UHFFFAOYSA-N
SMILES: COC(=O)C#N
FDA UNII: 7 S9M7F9JLT · 7S9M7F9JLT
EPA Substance Registry System: Carbonocyanidic acid, methyl ester (17640-15-2)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS06
Signal word: Danger
Hazard statements: 226 · H226-H300+H310+H330-H315-H319
Precautionary statements: 210 · P210-P233-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: T+
Risk Statements: 10 · 10-26/27/28-36/38-36/37/38
Safety Statements: 26 · 26-28-36/37-45
RIDADR: 3275 · UN 3275 6.1/PG 2
WGK Germany: 3 · 3
RTECS: 7525000 · LQ7525000
F: 10 · 10-19-21
TSCA: TSCA listed
HazardClass: 3.2 · 3.2
PackingGroup: III
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 1 InhalationAcute · Acute Tox. 1 InhalationAcute Tox. 2 DermalAcute Tox. 2 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2
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]

P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P320, P321, P330, P332+P317, P337+P317, 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationCarbonocyanidic acid, methyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

F: 10-19-21
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: LQ7525000
ridadr: UN 3275 6.1/PG 2
risk_code: 10-26/27/28-36/38-36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS06
hazard_code: T+
safety_code: 26-28-36/37-45
hazard_class: 3.2
Storage Class: 3 - Flammable liquids
packing_group: III
Hazard statements: H226-H300+H310+H330-H315-H319
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: Acute Tox. 1 InhalationAcute Tox. 2 DermalAcute Tox. 2 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2
Precautionary statements: P210-P233-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationCarbonocyanidic acid, methyl ester: INACTIVE

Applications · 3 items

DescriptionMethyl cyanoformate is the organic compound with the formula CH3OC(O)CN. It is used as a reagent in organic synthesis as a source of the methoxy carbonyl group , in which context it is also known as Mander's reagent. It was also the active ingredient in the pesticide product Zyklon A.

UsesSelective acylating reagent.

UsesOrganic synthesis.