3-Chloroanisole supplier | CasNO.2845-89-8

Name
3-Chloroanisole
EINECS 220-642-7
CAS No. 2845-89-8
Article Data44
CAS DataBase
Density 1.137g/cm³
Solubility 15g/L(25 oC)
Melting Point 25°C
Formula C₇H₇ClO
Boiling Point 197.5 °C at 760 mmHg
Molecular Weight 142.585
Flash Point 73.3 °C
Transport Information
Appearance Clear light yellow liquid
Safety 23-24/25
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Anisole,m-chloro- (6CI,7CI,8CI);1-Chloro-3-methoxybenzene;3-Chloroanisol;3-Chloromethoxybenzene;3-Methoxychlorobenzene;3-Methoxyphenyl chloride;m-Chloroanisole;m-Chloromethoxybenzene;m-Chlorophenyl methyl ether;
PSA 9.23000
LogP 2.34860

3-Chloroanisole Specification

The Benzene,1-chloro-3-methoxy-, with CAS registry number 2845-89-8, belongs to the following product categories: (1)Anisole; (2)Anisoles, Alkyloxy Compounds & Phenylacetates; (3)Chlorine Compounds; (4)Ethers; (5)Organic Building Blocks; (6)Oxygen Compounds. It has the systematic name of 1-chloro-3-methoxybenzene. When use this chemical, do not breathe vapour and avoid contact with skin and eyes.

Physical properties of Benzene,1-chloro-3-methoxy-: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.96; (4)ACD/LogD (pH 7.4): 2.96; (5)ACD/BCF (pH 5.5): 104.73; (6)ACD/BCF (pH 7.4): 104.73; (7)ACD/KOC (pH 5.5): 971.81; (8)ACD/KOC (pH 7.4): 971.81; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: Å²; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 37.82 cm³; (15)Molar Volume: 125.3 cm³; (16)Polarizability: 14.99×10^-24cm³; (17)Surface Tension: 32.6 dyne/cm; (18)Enthalpy of Vaporization: 41.6 kJ/mol; (19)Vapour Pressure: 0.531 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-methoxy-phenol. This reaction will need reagent phenylphosphorus tetrachloride. The reaction temperature is 160 ℃. The yield is about 80%.

Uses of Benzene,1-chloro-3-methoxy-: it can be used to produce 3-chloro-2,4,6-trinitro-anisole. This reaction will need reagent HNO₃+H₂SO₄. The reaction temperature is -15 ℃.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(Cl)ccc1
(2)InChI: InChI=1/C7H7ClO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
(3)InChIKey: YUKILTJWFRTXGB-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H7ClO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
(5)Std. InChIKey: YUKILTJWFRTXGB-UHFFFAOYSA-N

Product Name

3-Chloroanisole

3-Chloroanisole Specification

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