CAS No.39718-32-6,2,5-Difluorophenyl isocyanate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	39718-32-6
Name:	2,5-Difluorophenyl isocyanate
Article Data:	2

Formula:	C₇H₃F₂NO
Molecular Weight:	155.104
Synonyms:	1,4-Difluoro-2-isocyanatobenzene;2,5-Difluorophenyl isocyanate;
EINECS:	-0
Density:	1.24 g/cm³
Boiling Point:	181.1 °C at 760 mmHg
Flash Point:	56.1 °C
Appearance:	colorless to light yellow liquid
Hazard Symbols:	Xn,T,Xi
Risk Codes:	20/21/22-36/37/38-23/25
Safety:	23-26-45-36/37/39
Transport Information:	UN 3080 6.1/PG 2
PSA:	29.43000
LogP:	1.93210

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Specification

The CAS register number of 2,5-Difluorophenyl isocyanate is 39718-32-6. It also can be called as 2,5-difluorobenzenisocyanate and the IUPAC name about this chemical is 1,4-difluoro-2-isocyanatobenzene. The molecular formula about this chemical is C₇H₃F₂NO and the molecular weight is 155.1. It belongs to the following product categories which include Phenyl Isocyanate & Phenyl isothiocyanate; Isocyanates; Nitrogen Compounds; Organic Building Blocks and so on.

Physical properties about 2,5-Difluorophenyl isocyanate are: (1)ACD/LogP: 2.82; (2)ACD/LogD (pH 5.5): 2.82; (3)ACD/LogD (pH 7.4): 2.82; (4)ACD/BCF (pH 5.5): 81.78; (5)ACD/BCF (pH 7.4): 81.78; (6)ACD/KOC (pH 5.5): 814.13; (7)ACD/KOC (pH 7.4): 814.13; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.43Å²; (11)Index of Refraction: 1.488; (12)Molar Refractivity: 35.9 cm³; (13)Molar Volume: 124.4 cm³; (14)Polarizability: 14.23x10^-24cm³; (15)Surface Tension: 31.8 dyne/cm; (16)Enthalpy of Vaporization: 41.74 kJ/mol; (17)Boiling Point: 181.1 °C at 760 mmHg; (18)Vapour Pressure: 0.867 mmHg at 25°C.

Uses of 2,5-Difluorophenyl isocyanate: it can be used to produce 1,1-dibenzyl-3-(2,5-difluoro-phenyl)-urea with dibenzylamine at ambient temperature. This reaction will need solvent hexane. The yield is about 56%.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation and if swallowed. It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. If you want to use this chemical, please do not breathe vapour. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(F)cc1/N=C=O
(2)InChI: InChI=1/C7H3F2NO/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3H
(3)InChIKey: SNHIIFOXCRYGGY-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C7H3F2NO/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3H
(5)Std. InChIKey: SNHIIFOXCRYGGY-UHFFFAOYSA-N