CAS 19617-43-7 ethyl N-carbonylcarbamate (HCID 300166)

Names & identifiers

Preferred name: ethyl N-carbonylcarbamate
IUPAC: ethyl N-(oxomethylidene)carbamate
English name: Ethoxycarbonyl isocyanate
Molecular formula: C4H5NO3
Molecular weight: 115.09

Names & synonyms

ethyl N-carbonylcarbamateRefChem:596323626-050-9Ethoxycarbonyl isocyanate19617-43-7Ethyl isocyanatoformateEthyl N-(oxomethylene)carbamateethyl N-(oxomethylidene)carbamateCarbonisocyanatidic acid, ethyl esterethyl carbonisocyanatidateMFCD00011719Ethoxycarbonylisocyanate

Show more names

AURORA KA-7476CarbethoxyisocyanateEthoxycarbonyl isocyanate, GC 90%ETHOXYCARBONYL ISOCYANATE TECH 90%

ethyl isocyanatooateethylisocyanatoformateNSC174484SCHEMBL62671DTXSID80306153VMVZGGPZNHFGKS-UHFFFAOYSA-NGEO-01300SBB069471

Database identifiers

CAS: 19617-43-7
PubChem CID: 300166
DTXSID: DTXSID80306153
EC Number: 626-050-9
Nikkaji: J558.996G

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 55.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 125

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Boiling point: 25 °C/10 · 25 °C/10 mmHg (lit.)
Density: 1.115 g/mL · 1.115 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.408(lit.)
Flash point: 96 °F · 96 °F
storage temp.: 2 · 2-8°C
form: Liquid
Specific Gravity: 1.115 · 1.115
color: Clear colorless
InChI: 1S/C4H5NO3/c1-2-8-4(7)5-3-6/h2H2,1H3
InChIKey: VMVZGGPZNHFGKS-UHFFFAOYSA-N
SMILES: CCOC(=O)N=C=O
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07,GHS08
Signal word: Danger
Hazard statements: 226 · H226-H302+H312+H332-H315-H317-H319-H334-H335
Precautionary statements: 210 · P210-P233-P280-P301+P312-P303+P361+P353-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn
Risk Statements: 10 · 10-20/21/22-36/37/38
Safety Statements: 7 · 7-16-26-36/37/39
RIDADR: 3080 · UN 3080 6.1/PG 2
WGK Germany: 3 · 3
HazardClass: 6.1 · 6.1(a)
PackingGroup: II
HS Code: 29291090 · 29291090
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, 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 45 reports by companies from 7 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 3080 6.1/PG 2
hs_code: 29291090
risk_code: 10-20/21/22-36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS07,GHS08
hazard_code: Xn
safety_code: 7-16-26-36/37/39
hazard_class: 6.1(a)
Storage Class: 3 - Flammable liquids
packing_group: II
target organs: Respiratory system
Hazard statements: H226-H302+H312+H332-H315-H317-H319-H334-H335
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Precautionary statements: P210-P233-P280-P301+P312-P303+P361+P353-P305+P351+P338