CAS 5100-34-5 Ethyl 3-isocyanatopropanoate (HCID 2733373)

Namen und Bezeichner

Bevorzugter Name: Ethyl 3-isocyanatopropanoate
IUPAC: ethyl 3-isocyanatopropanoate
Englischer Name: ETHYL 3-ISOCYANATOPROPIONATE
Summenformel: C6H9NO3
Molmasse: 143.14

Namen und Synonyme

5100-34-5ethyl 3-isocyanatopropanoatePropanoic acid, 3-isocyanato-, ethyl esterDTXSID50369871RefChem:594998DTXCID50320907627-590-8Ethyl 3-isocyanatopropionateMFCD00078461ethyl N-(oxomethylidene)-beta-alaninateETHYL N-(OXOMETHYLENE)-BETA-ALANINATE(1-ethoxycarbonyl)-ethylisocyanate

Weitere Namen anzeigen

ethyle3-isocyanatopropionateEthyl 3-isocyanatopropionate,98%Ethyl 3-isocyanatopropionate 98%3-IsocyanatopropionicacidethylesterEthyl 3-isocyanatopropionate, 98% 1GR3-isocyanatopropanoic acid ethyl ester

3-ISOCYANATOPROPIONIC ACID ETHYL ESTERethyl-3-isocyanatopropionateethyl3-isocyanatopropanoateSCHEMBL48378ethyl 3-isocyanato-propionateethyl 3-isocyanatopropion-ateethyl-3-isocyanato-propionateXBSGYVHOINMTIM-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 5100-34-5
PubChem CID: 2733373
DTXSID: DTXSID50369871
EC Number: 627-590-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 55,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 5
Schwere Atome: 10
Formalladung: 0
Komplexität: 149

Physikochemische Eigenschaften

Siedepunkt: 68 °C · 68 °C (2 mmHg)
Dichte: 1 · 1,087 g/cm3
Brechungsindex: 1.4275 · 1.4275-1.4295
Flammpunkt: 92 °C · 92°C
storage temp.: 2 · 2-8°C
Aggregatzustand: Liquid
Farbe: Clear colorless to yellow
Wasserlöslichkeit: Not miscible with water.
BRN: 1705618 · 1705618
InChI: 1S/C6H9NO3/c1-2-10-6(9)3-4-7-5-8/h2-4H2,1H3
InChIKey: XBSGYVHOINMTIM-UHFFFAOYSA-N
SMILES: CCOC(=O)CCN=C=O
CAS Datenbank: 5100 · 5100-34-5

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (90.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (90.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H334 (13.6%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (90.9%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (90.9%)；Resp. Sens. 1 (13.6%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
ridadr: 2206
hs_code: 29291090
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 37/39-36-26-23
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenEthyl 3-isocyanatopropionate can be used to produce 3-[1-(2-dimethylamino-ethylcarbamoyl)-5,6-dimethyl-6H-pyrido[4,3-b]carbazol-9-yloxycarbonylamino]-propionic acid ethyl ester with 9-hydroxy-5,6-dimethyl-6H-pyrido[4,3-b]carbazole-1-carboxylic acid (2-dimethylamino-ethyl)-amide.