CAS No.400-94-2,3-Nitro-4-fluorobenzoyl chloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	400-94-2
Name:	3-Nitro-4-fluorobenzoyl chloride
Article Data:	57

Formula:	C₇H₃ClFNO₃
Molecular Weight:	203.557
Synonyms:	4-Fluoro-3-nitrobenzoyl chloride;3-Nitro-4-fluorobenzoylchloride;
Density:	1.543 g/cm³
Melting Point:	25-27.5 °C
Boiling Point:	281.4 °C at 760 mmHg
Flash Point:	124 °C
Hazard Symbols:	C
PSA:	62.89000
LogP:	2.63610

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Specification

The 3-Nitro-4-fluorobenzoyl chloride is an organic compound with the formula C₇H₃ClFNO₃. The systematic name of this chemical is 4-fluoro-3-nitrobenzoyl chloride. With the CAS registry number 400-94-2, it is also named as 3-Nitro-4-fluorobenzoyl chloride.

Physical properties about 3-Nitro-4-fluorobenzoyl chloride are: (1)ACD/LogP: 2.03; (2)ACD/LogD (pH 5.5): 2.03; (3)ACD/LogD (pH 7.4): 2.03; (4)ACD/BCF (pH 5.5): 20.59; (5)ACD/BCF (pH 7.4): 20.59; (6)ACD/KOC (pH 5.5): 303.37; (7)ACD/KOC (pH 7.4): 303.37; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 62.89 Å²; (11)Index of Refraction: 1.566; (12)Molar Refractivity: 43.03 cm³; (13)Molar Volume: 131.8 cm³; (14)Polarizability: 17.06×10^-24cm³; (15)Surface Tension: 51.7 dyne/cm; (16)Density: 1.543 g/cm³; (17)Flash Point: 124 °C; (18)Enthalpy of Vaporization: 52.02 kJ/mol; (19)Boiling Point: 281.4 °C at 760 mmHg; (20)Vapour Pressure: 0.00357 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(ccc1F)C(Cl)=O
(2)InChI: InChI=1/C7H3ClFNO3/c8-7(11)4-1-2-5(9)6(3-4)10(12)13/h1-3H
(3)InChIKey: OJNVFOHHRJZBEG-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C7H3ClFNO3/c8-7(11)4-1-2-5(9)6(3-4)10(12)13/h1-3H
(5)Std. InChIKey: OJNVFOHHRJZBEG-UHFFFAOYSA-N