159344

Ethyl 4-isocyanatobenzoate

97%

• Linear Formula: OCNC₆H₄CO₂C₂H₅
• CAS Number: 30806-83-8
• Molecular Weight: 191.18
• EC Number: 250-344-2
• MDL number: MFCD00002027
• UNSPSC Code: 12352100
• PubChem Substance ID: 24849807
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 97%
• form: solid
• bp: 118-119 °C/0.8 mmHg (lit.)
• mp: 27-29 °C (lit.)
• functional group: ester; isocyanate
• storage temp.: 2-8°C
• SMILES string: CCOC(=O)c1ccc(cc1)N=C=O
• InChI: 1S/C10H9NO3/c1-2-14-10(13)8-3-5-9(6-4-8)11-7-12/h3-6H,2H2,1H3
• InChI key: CFEPCPHKICBCJV-UHFFFAOYSA-N

Description

Application

Ethyl 4-isocyanatobenzoate was used in the preparation of cellulose carbamate and ester derivatives. It was also used in the preparation of ethyl 4-(3-(4-oxo-6-tridecyl-1,4-dihydropyrimidin-2-yl)ureido)benzoate and ethyl 4-(2-oxocyclohexanecarboxamido)benzoate.

Safety Information

• pictograms: GHS08,GHS07
• signalword: Danger
• hcodes: H302 + H312 + H332,H315,H317,H319,H334,H335
• pcodes: P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: >230.0 °F - closed cup
• flash_point_c: > 110 °C - closed cup
• ppe: dust mask type N95 (US), Eyeshields, Faceshields, Gloves