Isocyanic Acid 3,4-Difluorophenyl Ester

Isocyanic Acid 3,4-Difluorophenyl Ester - Names and Identifiers

Name	3,4-Difluorophenyl isocyanate
Synonyms	3,4-DIFLUOROPHENYL ISOCYANATE 3,4-Difluorophenyl isocyanate 1,2-difluoro-4-isocyanatobenzene 3,4-Difluoro-1-isocyanatobenzene 3,4-Difluorophenyl isocyanate 2GR Benzene, 1,2-difluoro-4-isocyanato- Isocyanic Acid 3,4-Difluorophenyl Ester
CAS	42601-04-7
InChI	InChI=1/C7H3F2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H

Isocyanic Acid 3,4-Difluorophenyl Ester - Physico-chemical Properties

Molecular Formula	C7H3F2NO
Molar Mass	155.1
Density	1.326g/mLat 25°C(lit.)
Boling Point	164°C(lit.)
Flash Point	145°F
Vapor Presure	0.665mmHg at 25°C
Appearance	Liquid
Color	Yellow
Storage Condition	2-8°C
Sensitive	Moisture Sensitive/Lachrymatory
Refractive Index	n20/D 1.498(lit.)

Isocyanic Acid 3,4-Difluorophenyl Ester - Risk and Safety

Risk Codes	R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing.
UN IDs	UN 2206 6.1/PG 2
WGK Germany	3
HS Code	29291090
Hazard Note	Toxic/Lachrymatory/Moisture Sensitive
Hazard Class	6.1
Packing Group	III

Isocyanic Acid 3,4-Difluorophenyl Ester - Introduction

3,4-Difluorophenyl isocyanate, also known as 3,4-Difluorophenyl isocyanate, is an organic compound. It has a molecular formula of C7H3F2NO and a molecular weight of 157.1g/mol.

Nature:
3,4-Difluorophenyl isocyanate is a colorless liquid with a pungent odor. It has a density of 1.34g/cm³ and a boiling point of 85-86°C. It is soluble in organic solvents such as ethanol, diethyl ether and dichloromethane, but hardly soluble in water.

Use:
3,4-Difluorophenyl isocyanate is generally used for fluorine substitution reactions in organic synthesis, especially in the synthesis of drugs and pesticides. It can also be used as a pharmaceutical intermediate, such as for the synthesis of anticancer drugs.

Preparation Method:
The preparation methods of 3,4-Difluorophenyl isocyanate are mostly obtained by reacting 3,4-difluoronitrobenzene with isocyanate. The reaction is carried out under an inert gas atmosphere by heating, and the product is purified after being formed.

Safety Information:
3,4-Difluorophenyl isocyanate is irritating and corrosive. Wear suitable personal protective equipment such as chemical goggles, protective gloves and protective clothing during use or contact. Avoid direct contact with skin and eyes, and avoid inhaling its vapors. It should be properly handled and stored during operation to avoid contact with combustibles and oxidants. In the event of a spill or accident, take appropriate emergency measures and seek help from medical personnel.

Last Update：2024-04-09 15:17:57