2-Methyl-3-nitrobenzoyl chloride supplier

Name
2-Methyl-3-nitrobenzoyl chloride
EINECS
CAS No. 39053-41-3
Article Data27
CAS DataBase
Density 1.386 g/cm³
Solubility
Melting Point 68 °C
Formula C₈H₆ClNO₃
Boiling Point 286.7 °C at 760 mmHg
Molecular Weight 199.594
Flash Point 127.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoyl chloride, 2-methyl-3-nitro-;
PSA 62.89000
LogP 2.80540

2-Methyl-3-nitrobenzoyl chloride Specification

The CAS register number of 2-Methyl-3-nitrobenzoyl chloride is 39053-41-3. It also can be called as Benzoyl chloride, 2-methyl-3-nitro- and the systematic name about this chemical is 2-methyl-3-nitrobenzoyl chloride. The molecular formula about this chemical is C₈H₆ClNO₃ and the molecular weight is 199.59.

Physical properties about 2-Methyl-3-nitrobenzoyl chloride are: (1)ACD/LogP: 2.58; (2)ACD/LogD (pH 5.5): 2.58; (3)ACD/LogD (pH 7.4): 2.58; (4)ACD/BCF (pH 5.5): 53.86; (5)ACD/BCF (pH 7.4): 53.86; (6)ACD/KOC (pH 5.5): 603.73; (7)ACD/KOC (pH 7.4): 603.73; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 62.89Å²; (11)Index of Refraction: 1.579; (12)Molar Refractivity: 47.86 cm³; (13)Molar Volume: 143.9 cm³; (14)Polarizability: 18.97x10^-24cm³; (15)Surface Tension: 50.7 dyne/cm; (16)Enthalpy of Vaporization: 52.58 kJ/mol; (17)Boiling Point: 286.7 °C at 760 mmHg; (18)Vapour Pressure: 0.00259 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c1cccc(C(Cl)=O)c1C
(2)InChI: InChI=1/C8H6ClNO3/c1-5-6(8(9)11)3-2-4-7(5)10(12)13/h2-4H,1H3
(3)InChIKey: UENLNPJRTOHQIC-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H6ClNO3/c1-5-6(8(9)11)3-2-4-7(5)10(12)13/h2-4H,1H3
(5)Std. InChIKey: UENLNPJRTOHQIC-UHFFFAOYSA-N

Product Name

2-Methyl-3-nitrobenzoyl chloride

2-Methyl-3-nitrobenzoyl chloride Specification

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