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| CAS No.: | 7035-09-8 |
|---|---|
| Name: | 5-CHLORO-2-METHOXYBENZALDEHYDE |
| Article Data: | 25 |
| Molecular Structure: | |
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| Formula: | C8H7ClO2 |
| Molecular Weight: | 170.595 |
| Synonyms: | o-Anisaldehyde,5-chloro- (6CI,7CI,8CI);2-Methoxy-5-chlorobenzaldehyde;3-Chloro-6-methoxybenzaldehyde;5-Chloro-2-methoxybenzaldehyde;Benzaldehyde, 5-chloro-2-methoxy-; |
| Density: | 1.224 g/cm3 |
| Melting Point: | 75-79℃ |
| Boiling Point: | 264 °C at 760 mmHg |
| Flash Point: | 117.7 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 22-36-51 |
| Safety: | 26 |
| PSA: | 26.30000 |
| LogP: | 2.16110 |
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Specification
The 5-Chloro-2-methoxybenzaldehyde, with the CAS registry number 7035-09-8, is also called Benzaldehyde, 5-chloro-2-methoxy-. It belongs to the following product categories: Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde; Adehydes, Acetals & Ketones; Anisoles, Alkyloxy Compounds & Phenylacetates; Chlorine Compounds. The molecular formula of the chemical is C8H7ClO2.
The characteristics of 5-Chloro-2-methoxybenzaldehyde are as followings: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.564; (8)Molar Refractivity: 44.57 cm3; (9)Molar Volume: 137 cm3; (10)Polarizability: 17.67×10-24cm3; (11)Surface Tension: 40 dyne/cm; (12)Density: 1.244 g/cm3; (13)Flash Point: 117.7 °C; (14)Enthalpy of Vaporization: 50.19 kJ/mol; (15)Boiling Point: 264 °C at 760 mmHg; (16)Vapour Pressure: 0.00995 mmHg at 25°C.
Preparation of 5-Chloro-2-methoxybenzaldehyde: This chemical can be prepared by 2-methoxy-benzaldehyde. The reaction will need reagent Ca(OCl)2, and the menstruum H2O, acetic acid and acetone. The reaction time is 1 hour with temperature of 0°C, and the yield is about 93%.
Uses of 5-Chloro-2-methoxybenzaldehyde: It can react with tetrabromomethane to produce 4-chloro-2-(2,2-dibromo-vinyl)-1-methoxy-benzene. This reaction will need reagent triphenyl phosphine, and the menstruum triphenyl phosphine. And the yield is about 84%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(c(OC)cc1)C=O
(2)InChI: InChI=1/C8H7ClO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-5H,1H3
(3)InChIKey: HXTWDGGMXZXOIV-UHFFFAOYAN