102561-47-7

Basic information

• Product Name: 4-(N-BUTOXYCARBONYL)PHENYL ISOCYANATE
• Synonyms: BUTYL 4-ISOCYANATOBENZOATE;4-(N-BUTOXYCARBONYL)PHENYL ISOCYANATE;P-(BUTOXYCARBONYL)PHENYL ISOCYANATE;Benzoic acid, 4-isocyanato-, butyl ester (9CI);n-Butyl4-isocyanatobenzoate~4-(Carbobutoxy)phenylisocyanate;4-(carbobutoxy)phenyl isocyanate;n-butyl 4-isocyanatobenzoate
• CAS NO: 102561-47-7
• Molecular Formula: C₁₂H₁₃NO₃
• Molecular Weight: 219.24
• Product Categories: ISOCYANATE;Isocyanates;Nitrogen Compounds;Organic Building Blocks
• Mol File: 102561-47-7.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 295 °C(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 1.105 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.000524mmHg at 25°C
• Refractive Index: n20/D 1.526(lit.)
• Sensitive: Moisture Sensitive
• BRN: 7640773
• CAS DataBase Reference: 4-(N-BUTOXYCARBONYL)PHENYL ISOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(N-BUTOXYCARBONYL)PHENYL ISOCYANATE(102561-47-7)
• EPA Substance Registry System: 4-(N-BUTOXYCARBONYL)PHENYL ISOCYANATE(102561-47-7)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36
• RIDADR: UN 2206 6.1/PG 3
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 102561-47-7(Hazardous Substances Data)

Usage

General Description

4-(N-BUTOXYCARBONYL)PHENYL ISOCYANATE is a chemical compound with the molecular formula C14H17NO3. It is a phenyl isocyanate derivative with a butoxycarbonyl functional group attached to the phenyl ring. 4-(N-BUTOXYCARBONYL)PHENYL ISOCYANATE is commonly used in the synthesis of various organic compounds and materials, particularly in the pharmaceutical and polymer industries. It is a highly reactive compound that can undergo chemical reactions to form urethane linkages, making it useful in the production of polyurethane-based materials. Due to its reactivity and potential health hazards, proper handling and safety precautions are necessary when working with this chemical.

InChI:InChI=1/C12H13NO3/c1-2-3-8-16-12(15)10-4-6-11(7-5-10)13-9-14/h4-7H,2-3,8H2,1H3

Upstream product

• 94-25-7 4-amino-benzoic acid butyl ester 
• 32315-10-9 bis(trichloromethyl) carbonate 

Downstream Products

• 282529-90-2 2-(4-Butoxycarbonylphenylamino)-6-methyl-4H-3,1-benzoxazin-4-one 
• 1588442-72-1 C₃₁H₄₀N₃O₃⁽¹⁺⁾*I^(1-) 
• 629667-16-9 3-(4-n-butoxycarbonyl-phenylcarbamoyl)-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylic acid ethyl ester 

Relevant articles and documents

Quantitative Structure-Activity Relationships of Insecticidal Pyrazolines

Methyl 3-(4-chlorophenyl)-4-methyl-1--2-pyrazoline-4-carboxylates and related compounds were prepared. Their convulsant activity was determined as the minimum dose required to bring about the symptom within 1 h after injection against male adult American cockroaches, Periplaneta americana (L.). Insecticidal activity with metabolic inhibitors for oxidation and hydrolysis was measured 24 h after injection of the test compounds. Variations in each of the activities were analysed by using physicochemical substituent parameters and regression analysis. The findings indicated that the greater the hydrophobicity and the more the electron-withdrawing property of the substituents, the higher were the activities. Variations in each of the two activities were parabolically related to the STERIMOL width parameter with an optimum value of about zero.