76393-16-3

Basic information

• Product Name: ETHYL 2-ISOCYANATOBENZOATE
• Synonyms: ETHYL 2-ISOCYANATOBENZOATE;2-(ETHOXYCARBONYL)PHENYL ISOCYANATE;2-Carbethoxyphenyl isocyanate;2-Carboethoxyphenyl isocyanate~Ethyl 2-isocyanatobenzoate;Benzoic acid, 2-isocyanato-, ethyl ester (9CI);2-carboethoxyphenyl isocyanate;Ethyl 2-isocyanatobenzoate 97%
• CAS NO: 76393-16-3
• Molecular Formula: C₁₀H₉NO₃
• Molecular Weight: 191.18
• Product Categories: ISOCYANATE;Isocyanates;Nitrogen Compounds;Organic Building Blocks
• Mol File: 76393-16-3.mol
• Article Data: 4

Chemical Properties

• Melting Point: 26-27°C
• Boiling Point: 282.9°C at 760 mmHg
• Flash Point: >110°C
• Appearance: /
• Density: 1.12g/cm³
• Vapor Pressure: 0.00326mmHg at 25°C
• Refractive Index: 1.524
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive: Moisture Sensitive
• BRN: 1242648
• CAS DataBase Reference: ETHYL 2-ISOCYANATOBENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 2-ISOCYANATOBENZOATE(76393-16-3)
• EPA Substance Registry System: ETHYL 2-ISOCYANATOBENZOATE(76393-16-3)

Safety Data

• Hazard Codes: Xn
• Statements: 20/22-36/37/38-42-22
• Safety Statements: 23-26-36/37/39-45
• RIDADR: 2206
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 76393-16-3(Hazardous Substances Data)

Usage

General Description

Ethyl 2-isocyanatobenzoate is a chemical compound with the formula C10H9NO3. It is a clear, colorless liquid used in the production of pharmaceuticals, pesticides, and other chemical products. Ethyl 2-isocyanatobenzoate is known for its strong irritating odor and is classified as a hazardous substance due to its potential to cause skin and eye irritation upon contact. It is important to handle and store this chemical with care and follow proper safety protocols to avoid any potential health risks.

InChI:InChI=1/C10H9NO3/c1-2-14-10(13)8-5-3-4-6-9(8)11-7-12/h3-6H,2H2,1H3

Upstream product

• 32315-10-9 bis(trichloromethyl) carbonate 
• 179240-09-6 (3aR,9bR)-2-aminoethyl-6-methoxy-2,3,3a,4,5,9b-[1H]-hexahydrobenz[e]isoindole 
• 87-25-2 2-ethoxycarbonylaniline 
• 75-44-5 phosgene 
• 130399-61-0 ethyl N-(trimethylsilyl)anthranilate 

Downstream Products

• 124420-84-4 2-(3-Pyridin-4-yl-ureido)-benzoic acid ethyl ester 
• 94814-88-7 N-(Phthalimidoyl-oxycarbonyl)-anthranilsaeureethylester 
• 221167-05-1 ethyl 3-ethoxy-7-[4-((2-ethoxycarbonylphenylamino)carbonyloxymethyl)imidazol-1-yl]-6-nitroquinoxaline-2-carboxylate 
• 124420-83-3 2-[3-(pyridin-4-yl)-ureido]-benzoic acid 
• 1002339-47-0 tert-butyl 4-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-3-(hydroxymethyl)piperazine-1-carboxylate 
• 72368-50-4 ethyl 2-(formylamino) benzoate 
• 29055-08-1 N-methyl-o-aminobenzyl alcohol 
• 35472-56-1 N-methyl-anthranilic acid ethyl ester 
• 76393-22-1 2-amino-3-nitro-5-(trifluoromethyl)-2'-(ethoxycarbonyl)carbanilide 
• 94814-89-8 N-(o-Ethoxycarbonyl-phenyl)-N'-butyl-harnstoff 
• 114559-88-5 2-[3-((1R,3R,5S)-8-Methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-ureido]-benzoic acid ethyl ester 

Relevant articles and documents

Organosilicon synthesis of isocyanates: III. Synthesis of aliphatic, carbocyclic, aromatic, and alkylaromatic isocyanatocatboxylic acid esters

A series of aminoacid esters was prepared by treating the aminoacid suspensions in ethanol with thionyl chloride. Best conversion of aminoacid esters to corresponding isocyanates was achieved in the case of aromatic and carbocyclic aminoesters by phosgeneation of their N-silyl derivatives, and in the case of aliphatic and alkylaromatic aminoesters by phosgeneation of O-silyl or N,O-bissilylurethanes on their basis. In the last case additional step of esterification of the by-products isocyanatoalkylcarboxylic acid chlorides is required after phosgeneation. Unusual generation of cynnamates and intramolecular N→O-migration of trimethylsilyl group in the solutions of silylated alkylaromatic β-aminoacid esters were found. Pleiades Publishing, Inc., 2006.

BICYCLIC SUBSTITUTED HEXAHYDROBENZ[E]ISOINDOLE ALPHA-1 ADRENERGIC ANTAGONISTS

The present invention relates to a compound of the formula STR1 and the pharmaceutically acceptable salts thereof wherein W is a bicyclic heterocyclic ring system. The compounds are α-1 adrenergic antagonists and are useful in the treatment of BPH; also d