Basic information
- Name:
Benzaldehyde,5-(chloromethyl)-2-hydroxy-
- CAS No.:
23731-06-8
- Molecular Structure:
- Formula:
- C8H7ClO2
- Molecular Weight:
- 170.593
- Synonyms:
- 5-(Chloromethyl)salicylaldehyde;
- Density:
- 1.34 g/cm3
- Boiling Point:
- 281.4 °C at 760 mmHg
- Flash Point:
- 124 °C
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Specification
The Benzaldehyde,5-(chloromethyl)-2-hydroxy-, with the CAS registry number of 23731-06-8, is also known as 5-(Chloromethyl)salicylaldehyde. This chemical's molecular formula is C8H7ClO2 and molecular weight is 170.59. What's more, its IUPAC name is 5-(Chloromethyl)-2-hydroxybenzaldehyde.
Physical properties about the Benzaldehyde,5-(chloromethyl)-2-hydroxy- are: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.619; (8)Molar Refractivity: 44.65 cm3; (9)Molar Volume: 127.2 cm3; (10)Surface Tension: 52.5 dyne/cm; (11)Density: 1.34 g/cm3; (12)Flash Point: 124 °C; (13)Enthalpy of Vaporization: 54.11 kJ/mol; (14)Boiling Point: 281.4 °C at 760 mmHg; (15)Vapour Pressure: 0.0021 mmHg at 25 °C.
Uses: it is used to produce other chemicals. For example, it is used to produce 5-(Tripropylammoniomethyl)salicylaldehyde chloride. This reaction needs solvent tetrahydrofuran. The yield is about 45 %.
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You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1cc(ccc1O)CCl
(2) InChI: InChI=1/C8H7ClO2/c9-4-6-1-2-8(11)7(3-6)5-10/h1-3,5,11H,4H2
(3) InChIKey: WFACWTZLXIFJCM-UHFFFAOYAQ
