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Name |
Benzaldehyde,3-bromo-2-methoxy- |
EINECS | N/A |
CAS No. | 88275-87-0 | Density | 1.522 g/cm3 |
PSA | 26.30000 | LogP | 2.27020 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H7BrO2 | Boiling Point | 282.341 °C at 760 mmHg |
Molecular Weight | 215.046 | Flash Point | 124.555 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Bromo-2-methoxybenzaldehyde; |
Article Data | 16 |
This chemical is called Benzaldehyde, 3-bromo-2-methoxy-, and its systematic name is 3-Bromo-2-methoxybenzaldehyde. With the molecular formula of C8H7BrO2, its molecular weight is 215.04. The CAS registry number of this chemical is 88275-87-0.
Other characteristics of the Benzaldehyde, 3-bromo-2-methoxy- can be summarised as followings: (1)ACD/LogP: 2.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 38; (6)ACD/BCF (pH 7.4): 38; (7)ACD/KOC (pH 5.5): 475; (8)ACD/KOC (pH 7.4): 475; (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: 1.585; (14)Molar Refractivity: 47.374 cm3; (15)Molar Volume: 141.286 cm3; (16)Polarizability: 18.781×10-24cm3; (17)Surface Tension: 41.916 dyne/cm; (18)Density: 1.522 g/cm3; (19)Flash Point: 124.555 °C; (20)Enthalpy of Vaporization: 52.12 kJ/mol; (21)Boiling Point: 282.341 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: COc1c(cccc1Br)C=O
2.InChI: InChI=1/C8H7BrO2/c1-11-8-6(5-10)3-2-4-7(8)9/h2-5H,1H3
3.InChIKey: SZDPZQAPHXPVCN-UHFFFAOYAT