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Benzene,1-chloro-2,4-dimethoxy- (7051-13-0)

Identification
Name:Benzene,1-chloro-2,4-dimethoxy-
Synonyms:1-Chloro-2,4-dimethoxybenzene;2,4-Dimethoxy-1-chlorobenzene;2,4-Dimethoxychlorobenzene;4-Chloro-1,3-di-O-methylresorcinol;4-Chloro-1,3-dimethoxybenzene;4-Chlororesorcinol dimethyl ether;
CAS:7051-13-0
Molecular Formula: C8H9ClO2
Molecular Weight: 172.6089
InChI: InChI=1/C8H9ClO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3
Molecular Structure: (C8H9ClO2) 1-Chloro-2,4-dimethoxybenzene;2,4-Dimethoxy-1-chlorobenzene;2,4-Dimethoxychlorobenzene;4-Chloro-1,3-...
Properties
Density:1.155 g/cm3
Refractive index:1.507
Specification:

The 1-Chloro-2,4-dimethoxybenzene with cas registry number of 7051-13-0, belongs to the following product categories: (1)Anisole; (2)Anisoles, Alkyloxy Compounds & Phenylacetates; (3)Chlorine Compounds. Its systematic name and its IUPAC name are the same, which is 1-chloro-2,4-dimethoxybenzene.

Physical properties about this chemical are: (1)ACD/LogP: 2.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.57; (4)ACD/LogD (pH 7.4): 2.57; (5)ACD/BCF (pH 5.5): 52.47; (6)ACD/BCF (pH 7.4): 52.47; (7)ACD/KOC (pH 5.5): 592.53; (8)ACD/KOC (pH 7.4): 592.53; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 44.5 cm3; (15)Molar Volume: 149.3 cm3; (16)Polarizability: 17.64×10-24cm3; (17)Surface Tension: 32.4 dyne/cm; (18)Enthalpy of Vaporization: 45.39 kJ/mol; (19)Vapour Pressure: 0.0732 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 1-Chloro-2,4-dimethoxybenzene irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(OC)cc1OC;
(2)InChI: InChI=1/C8H9ClO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3;
(3)InChIKey: OACCRGFGCIQFNR-UHFFFAOYAQ;
(4)Std. InChI: InChI=1S/C8H9ClO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3;
(5)Std. InChIKey: OACCRGFGCIQFNR-UHFFFAOYSA-N

Safety Data
 

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