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Benzaldehyde, 2-(4-chlorophenoxy)-

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Name

Benzaldehyde, 2-(4-chlorophenoxy)-

EINECS N/A
CAS No. 111826-11-0 Density 1.266g/cm3
PSA 26.30000 LogP 3.94480
Solubility N/A Melting Point 55-59 °C
Formula C13H9ClO2 Boiling Point 331.7 °C at 760 mmHg
Molecular Weight 232.666 Flash Point 136.9 °C
Transport Information N/A Appearance N/A
Safety 26-27/37/39-61 Risk Codes 22-37/38-41-43-51/53
Molecular Structure Molecular Structure of 111826-11-0 (2-(4-CHLOROPHENOXY)BENZALDEHYDE) Hazard Symbols HarmfulXn,DangerousN
Synonyms

benzaldehyde, 2-(4-chlorophenoxy)-

Article Data 18

Benzaldehyde, 2-(4-chlorophenoxy)- Specification

The CAS registry number of Benzaldehyde, 2-(4-chlorophenoxy)- is 111826-11-0. It belongs to the product categories of Aldehydes; C10 to C21; Carbonyl Compounds. This chemical's molecular formula is C13H9ClO2 and molecular weight is 232.6624. What's more, its systematic name is called 2-(4-Chlorophenoxy)benzaldehyde.

Physical properties about Benzaldehyde, 2-(4-chlorophenoxy)- are: (1)ACD/LogP: 4.04; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.04; (4)ACD/LogD (pH 7.4): 4.04; (5)ACD/BCF (pH 5.5): 692.91; (6)ACD/BCF (pH 7.4): 692.91; (7)ACD/KOC (pH 5.5): 3758; (8)ACD/KOC (pH 7.4): 3758; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 64.34 cm3; (15)Molar Volume: 183.6 cm3; (16)Polarizability: 25.5×10-24 cm3; (17)Surface Tension: 46.4 dyne/cm; (18)Density: 1.266 g/cm3; (19)Flash Point: 136.9 °C; (20)Enthalpy of Vaporization: 57.44 kJ/mol; (21)Boiling Point: 331.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000154 mmHg at 25 °C.

When you are dealing with Benzaldehyde, 2-(4-chlorophenoxy)-, you should be very careful. It is harmful if swallowed and it is irritating to respiratory system and skin. This chemical may cause sensitisation by inhalation and sensitisation by skin contact. What's more, it is also toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, you could rinse immediately with plenty of water and seek medical advice. You should wear suitable protective clothing, gloves and eye/face protection. In addition, you should avoid releasing to the environment.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2ccc(Oc1ccccc1C=O)cc2
(2) InChI: InChI=1/C13H9ClO2/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-9H
(3) InChIKey: ZDVNCJMGGQWZCV-UHFFFAOYAC

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