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50424-81-2

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Basic Information
CAS No.: 50424-81-2
Name: 4-methyl-2-nitrobenzoyl chloride
Article Data: 5
Molecular Structure:
Molecular Structure of 50424-81-2 (4-methyl-2-nitrobenzoyl chloride)
Formula: C8H6ClNO3
Molecular Weight: 199.594
Synonyms: 4-Methyl-2-nitrobenzoylchloride;
EINECS: 256-587-0
Density: 1.386 g/cm3
Boiling Point: 325.3 °C at 760 mmHg
Flash Point: 150.5 °C
PSA: 62.89000
LogP: 2.80540
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    Benzoyl chloride,4-methyl-2-nitro-

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    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

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Specification

The CAS registry number of Benzoyl chloride,4-methyl-2-nitro- is 50424-81-2. Its EINECS registry number is 256-587-0. This chemical's molecular formula is C8H6ClNO3 and molecular weight is 199.5911. What's more, both its IUPAC name and systematic name are the same which is called 4-Methyl-2-nitrobenzoyl chloride.

Physical properties about Benzoyl chloride,4-methyl-2-nitro- are: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.17; (4)ACD/LogD (pH 7.4): 2.17; (5)ACD/BCF (pH 5.5): 26.1; (6)ACD/BCF (pH 7.4): 26.1; (7)ACD/KOC (pH 5.5): 359.44; (8)ACD/KOC (pH 7.4): 359.44 ; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.89 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 47.86 cm3; (15)Molar Volume: 143.9 cm3; (16)Polarizability: 18.97×10-24cm3; (17)Surface Tension: 50.7 dyne/cm; (18)Density: 1.386 g/cm3; (19)Flash Point: 150.5 °C; (20)Enthalpy of Vaporization: 56.74 kJ/mol; (21)Boiling Point: 325.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000233 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1c(ccc(c1)C)C(Cl)=O
(2) InChI: InChI=1/C8H6ClNO3/c1-5-2-3-6(8(9)11)7(4-5)10(12)13/h2-4H,1H3
(3) InChIKey: NGWLWEKYLVWRNX-UHFFFAOYAS