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3-(Difluoromethoxy)aniline

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Name

3-(Difluoromethoxy)aniline

EINECS N/A
CAS No. 22236-08-4 Density 1.253 g/cm3
PSA 35.25000 LogP 2.45140
Solubility N/A Melting Point N/A
Formula C7H7F2NO Boiling Point 230.1 °C at 760 mmHg
Molecular Weight 159.135 Flash Point 92.9 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 22236-08-4 (3-(Difluoromethoxy)aniline) Hazard Symbols IrritantXi, ToxicT
Synonyms

m-Anisidine,a,a-difluoro- (8CI);3-(Difluoromethoxy)benzenamine;3-[(Difluoromethyl)oxy]aniline;m-(Difluoromethoxy)aniline;

Article Data 1

3-(Difluoromethoxy)aniline Specification

The 3-(Difluoromethoxy)aniline, with its CAS registry number 22236-08-4, has other names as Benzenamine, 3-(difluoromethoxy)-. And its product categories are including Amines and Anilines; Amines; C7; Nitrogen Compounds.

The physical properties of this chemical are as below: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.01; (4)ACD/LogD (pH 7.4): 1.01; (5)ACD/BCF (pH 5.5): 3.43; (6)ACD/BCF (pH 7.4): 3.47; (7)ACD/KOC (pH 5.5): 83.71; (8)ACD/KOC (pH 7.4): 84.85; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 37.45 cm3; (15)Molar Volume: 126.9 cm3; (16)Polarizability: 14.84×10-24 cm3; (17)Surface Tension: 33.7 dyne/cm; (18)Density: 1.253 g/cm3; (19)Flash Point: 92.9 °C; (20)Enthalpy of Vaporization: 46.67 kJ/mol; (21)Boiling Point: 230.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0672 mmHg at 25°C.

When you are dealing with this chemical, you should be very careful. For one thing, it is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. For another thing, it is toxic which at low levels cause damage to health. Therefore, you should wear suitable protective clothing and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)SMILES:FC(F)Oc1cccc(c1)N
(2)InChI:InChI=1/C7H7F2NO/c8-7(9)11-6-3-1-2-5(10)4-6/h1-4,7H,10H2
(3)InChIKey:RSOFZRXRIPVBBM-UHFFFAOYAN

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