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Basic Information
CAS No.: 40750-71-8
Name: 1-(CHLORO-DIFLUORO-METHOXY)-4-NITRO-BENZENE
Article Data: 2
Molecular Structure:
Molecular Structure of 40750-71-8 (1-(CHLORO-DIFLUORO-METHOXY)-4-NITRO-BENZENE)
Formula: C7H4ClF2NO3
Molecular Weight: 223.563
Synonyms: 4-(Chlorodifluoromethoxy)-1-nitrobenzene;1-(Chloro-difluoro-methoxy)-4-nitro-benzene;Chloro(difluoro)methyl 4-nitrophenyl ether;
Density: 1.514 g/cm3
Boiling Point: 265.2 °C at 760 mmHg
Flash Point: 114.2 °C
Hazard Symbols: IrritantXi
Risk Codes: 20/21/22-36/37/38
Safety: 26-36/37/39
PSA: 55.05000
LogP: 3.28590
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Specification

The Benzene,1-(chlorodifluoromethoxy)-4-nitro-, with the CAS registry number 40750-71-8, is also known as 4-(Chlorodifluoromethoxy)-1-nitrobenzene. This chemical's molecular formula is C7H4ClF2NO3 and molecular weight is 223.56. What's more, its systematic name is 1-[chloro(difluoro)methoxy]-4-nitrobenzene.

Physical properties of Benzene,1-(chlorodifluoromethoxy)-4-nitro- are: (1)ACD/LogP: 3.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.24; (4)ACD/LogD (pH 7.4): 3.24; (5)ACD/BCF (pH 5.5): 169.36; (6)ACD/BCF (pH 7.4): 169.36; (7)ACD/KOC (pH 5.5): 1370.88; (8)ACD/KOC (pH 7.4): 1370.88; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.05 Å2; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 44.61 cm3; (15)Molar Volume: 147.6 cm3; (16)Polarizability: 17.68×10-24cm3; (17)Surface Tension: 40.3 dyne/cm; (18)Density: 1.514 g/cm3; (19)Flash Point: 114.2 °C; (20)Enthalpy of Vaporization: 48.28 kJ/mol; (21)Boiling Point: 265.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0152 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. What's more, the product is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(Cl)(F)Oc1ccc(cc1)[N+]([O-])=O
(2)Std. InChI: InChI=1S/C7H4ClF2NO3/c8-7(9,10)14-6-3-1-5(2-4-6)11(12)13/h1-4H
(3)Std. InChIKey: WPALJCCMLCPKMZ-UHFFFAOYSA-N