Name: 2-Methyl-3-methoxybenzoyl chloride
SKU: 24487-91-0

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Basic Information

Molecular Structure:
CAS No.:	24487-91-0
Name:	2-Methyl-3-methoxybenzoyl chloride
Article Data:	33

Formula:	C₉H₉ClO₂
Molecular Weight:	184.622
Synonyms:	m-Anisoylchloride, 2-methyl- (8CI);2-Methyl-3-methoxybenzoyl chloride;2-Methyl-m-anisoyl chloride;3-Methoxy-2-methylbenzoyl chloride;
EINECS:	1312995-182-4
Density:	1.183 g/cm³
Boiling Point:	256.989 °C at 760 mmHg
Flash Point:	95.729 °C
PSA:	26.30000
LogP:	2.38260

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Specification

The systematic name of 2-Methyl-3-methoxybenzoyl chloride is 3-methoxy-2-methylbenzoyl chloride. With the CAS registry number 24487-91-0, it is also named as 2-Methyl-m-anisoyl chloride. The product's category is Acidhalide. In addition, its molecular formula is C₉H₉ClO₂ and its molecular weight is 184.62.

The other characteristics of 2-Methyl-3-methoxybenzoyl chloride can be summarized as: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.83; (4)ACD/LogD (pH 7.4): 2.83; (5)ACD/BCF (pH 5.5): 84.05; (6)ACD/BCF (pH 7.4): 84.05; (7)ACD/KOC (pH 5.5): 830.23; (8)ACD/KOC (pH 7.4): 830.23; (9)H bond acceptors: 2; (10)H bond donors: 0; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 48 cm³; (15)Molar Volume: 156.1 cm³; (16)Polarizability: 19.02×10^-24cm³; (17)Surface Tension: 37.1 dyne/cm; (18)Density: 1.182 g/cm³; (19)Flash Point: 95.7 °C; (20)Enthalpy of Vaporization: 49.45 kJ/mol; (21)Boiling Point: 257 °C at 760 mmHg; (22)Vapour Pressure: 0.0149 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Cc1c(cccc1OC)C(Cl)=O
(2)InChI:InChI=1/C9H9ClO2/c1-6-7(9(10)11)4-3-5-8(6)12-2/h3-5H,1-2H3
(3)InChIKey:BXKZGIVKHPCDFO-UHFFFAOYAT
(4)Std. InChI:InChI=1S/C9H9ClO2/c1-6-7(9(10)11)4-3-5-8(6)12-2/h3-5H,1-2H3
(5)Std. InChIKey:BXKZGIVKHPCDFO-UHFFFAOYSA-N