Home >> Chemicals Listing >> hot product list by B  

Benzaldehyde,3-chloro-2-methoxy- (223778-54-9)

Identification
Name:Benzaldehyde,3-chloro-2-methoxy-
Synonyms:3-Chloro-2-methoxybenzaldehyde
CAS:223778-54-9
Molecular Formula: C8H7 Cl O2
Molecular Weight: 170.59
InChI: InChI=1/C8H7ClO2/c1-11-8-6(5-10)3-2-4-7(8)9/h2-5H,1H3
Molecular Structure: (C8H7ClO2) 3-Chloro-2-methoxybenzaldehyde
Properties
Density:1.244 g/cm3
Refractive index:1.564
Specification:

The 3-Chloro-2-methoxybenzaldehyde, with the CAS registry number 223778-54-9, is also known as Benzaldehyde, 3-chloro-2-methoxy-. This chemical's molecular formula is C8H7ClO2 and molecular weight is 170.59. Its systematic name is called 3-Chloro-2-methoxybenzaldehyde.

Physical properties of 3-Chloro-2-methoxybenzaldehyde: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.28; (4)ACD/LogD (pH 7.4): 2.28; (5)ACD/BCF (pH 5.5): 31.85; (6)ACD/BCF (pH 7.4): 31.85; (7)ACD/KOC (pH 5.5): 414.51; (8)ACD/KOC (pH 7.4): 414.51; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.564; (12)Molar Refractivity: 44.57 cm3; (13)Molar Volume: 137 cm3; (14)Surface Tension: 40 dyne/cm; (15)Density: 1.244 g/cm3; (16)Flash Point: 116 °C; (17)Enthalpy of Vaporization: 49.88 kJ/mol; (18)Boiling Point: 261.1 °C at 760 mmHg; (19)Vapour Pressure: 0.0118 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1c(cccc1Cl)C=O
(2)InChI: InChI=1/C8H7ClO2/c1-11-8-6(5-10)3-2-4-7(8)9/h2-5H,1H3
(3)InChIKey: KAVGGMKKDUTMJP-UHFFFAOYAW

Safety Data