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CAS No.: | 54373-15-8 |
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Name: | 4-(2-CHLOROETHOXY)BENZALDEHYDE |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C9H9ClO2 |
Molecular Weight: | 184.622 |
Synonyms: | Benzaldehyde,p-(2-chloroethoxy)- (6CI);4-(2-Chloroethoxy)benzaldehyde;p-(2-Chloroethoxy)benzaldehyde; |
Density: | 1.206 g/cm3 |
Melting Point: | 25-30 °C |
Boiling Point: | 308.6 °C at 760 mmHg |
Flash Point: | 137.6 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 26.30000 |
LogP: | 2.11670 |
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The Benzaldehyde,4-(2-chloroethoxy)-, with the CAS registry number 54373-15-8, is also known as Benzaldehyde,p-(2-chloroethoxy)- (6CI) and p-(2-Chloroethoxy)benzaldehyde. It belongs to the product categories of Aldehydes; blocks. This chemical's molecular formula is C9H9ClO2 and molecular weight is 184.62. What's more, both its IUPAC name and systematic name are the same which is called 4-(2-Chloroethoxy)benzaldehyde.
Physical properties about Benzaldehyde,4-(2-chloroethoxy)- are: (1) ACD/LogP: 2.16; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.16; (4) ACD/LogD (pH 7.4): 2.16; (5) ACD/BCF (pH 5.5): 25.74; (6) ACD/BCF (pH 7.4): 25.74; (7) ACD/KOC (pH 5.5): 355.94; (8) ACD/KOC (pH 7.4): 355.94; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 26.3 Å2; (13) Index of Refraction: 1.555; (14) Molar Refractivity: 49.16 cm3; (15) Molar Volume: 152.9 cm3; (16) Polarizability: 19.49×10-24 cm3; (17) Surface Tension: 41 dyne/cm; (18) Density: 1.206 g/cm3; (19) Flash Point: 137.6 °C; (20) Enthalpy of Vaporization: 54.93 kJ/mol; (21) Boiling Point: 308.6 °C at 760 mmHg; (22) Vapour Pressure: 0.000673 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1ccc(OCCCl)cc1
(2) InChI: InChI=1/C9H9ClO2/c10-5-6-12-9-3-1-8(7-11)2-4-9/h1-4,7H,5-6H2
(3) InChIKey: HBHHMVNKQWECIS-UHFFFAOYAP