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| CAS No.: | 29866-54-4 |
|---|---|
| Name: | 2-CHLORO-6-METHOXY-BENZALDEHYDE |
| Molecular Structure: | |
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| Formula: | C8H7ClO2 |
| Molecular Weight: | 170.595 |
| Synonyms: | 6-Chloro-2-methoxybenzaldehyde;2-Chloro-6-methoxybenzaldehyde;o-Anisaldehyde,6-chloro- (7CI,8CI);benzaldehyde, 2-chloro-6-methoxy-; |
| Density: | 1.245 g/cm3 |
| Melting Point: | 56-58 °C |
| Boiling Point: | 263.089 °C at 760 mmHg |
| Flash Point: | 117.142 °C |
| PSA: | 26.30000 |
| LogP: | 2.16110 |
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Specification
The Benzaldehyde,2-chloro-6-methoxy-, with the CAS registry number 29866-54-4, has the systematic name of 2-chloro-6-methoxybenzaldehyde. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H7ClO2.
The characteristics of Benzaldehyde,2-chloro-6-methoxy- are as followings: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 59; (6)ACD/BCF (pH 7.4): 59; (7)ACD/KOC (pH 5.5): 648; (8)ACD/KOC (pH 7.4): 648; (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: 1.564; (14)Molar Refractivity: 44.579 cm3; (15)Molar Volume: 137.052 cm3; (16)Polarizability: 17.673×10-24cm3; (17)Surface Tension: 40.094 dyne/cm; (18)Density: 1.245 g/cm3; (19)Flash Point: 117.142 °C; (20)Enthalpy of Vaporization: 50.09 kJ/mol; (21)Boiling Point: 263.089 °C at 760 mmHg; (22)Vapour Pressure: 0.01 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1c(OC)cccc1Cl
(2)InChI: InChI=1/C8H7ClO2/c1-11-8-4-2-3-7(9)6(8)5-10/h2-5H,1H3
(3)InChIKey: UHXUZNJCLHADGD-UHFFFAOYAU