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6307-78-4

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Basic Information
CAS No.: 6307-78-4
Name: 2,6-dimethyl-3-nitrobenzoyl chloride
Molecular Structure:
Molecular Structure of 6307-78-4 (2,6-dimethyl-3-nitrobenzoyl chloride)
Formula: C9H8ClNO3
Molecular Weight: 213.62
Synonyms: NSC 44279;
Density: 1.333 g/cm3
Boiling Point: 315 °C at 760 mmHg
Flash Point: 144.3 °C
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Specification

The CAS register number of Benzoyl chloride,2,6-dimethyl-3-nitro- is 6307-78-4. The systematic name about this chemical is 2,6-dimethyl-3-nitrobenzoyl chloride. The molecular formula about this chemical is C9H8ClNO3 and the molecular weight is 213.6177.

Physical properties about Benzoyl chloride,2,6-dimethyl-3-nitro- are: (1)ACD/LogP: 3.04; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 62.89 Å2; (5)Index of Refraction: 1.571; (6)Molar Refractivity: 52.69 cm3; (7)Molar Volume: 160.2 cm3; (8)Polarizability: 20.88x10-24cm3; (9)Surface Tension: 48 dyne/cm; (10)Density: 1.333 g/cm3; (11)Flash Point: 144.3 °C; (12)Enthalpy of Vaporization: 55.63 kJ/mol; (13)Boiling Point: 315 °C at 760 mmHg; (14)Vapour Pressure: 0.000448 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccc(c(C(Cl)=O)c1C)C
(2)InChI: InChI=1/C9H8ClNO3/c1-5-3-4-7(11(13)14)6(2)8(5)9(10)12/h3-4H,1-2H3
(3)InChIKey: ALFLTCILZQYZQW-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C9H8ClNO3/c1-5-3-4-7(11(13)14)6(2)8(5)9(10)12/h3-4H,1-2H3
(5)Std. InChIKey: ALFLTCILZQYZQW-UHFFFAOYSA-N