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4-Chloro-3-methylbenzaldehyde

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Name

4-Chloro-3-methylbenzaldehyde

EINECS N/A
CAS No. 101349-71-7 Density 1.195 g/cm3
PSA 17.07000 LogP 2.46090
Solubility N/A Melting Point 27-28 °C
Formula C8H7ClO Boiling Point 234 °C at 760 mmHg
Molecular Weight 154.596 Flash Point 105.6 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 101349-71-7 (4-CHLORO-3-METHYLBENZALDEHYDE) Hazard Symbols Xi
Synonyms

m-Tolualdehyde,4-chloro- (6CI);4-Chloro-3-methylbenzaldehyde;5-Chloro-4-methyl-2-benzaldehyde;

Article Data 3

4-Chloro-3-methylbenzaldehyde Specification

The 4-Chloro-3-methylbenzaldehyde, with the CAS registry number 101349-71-7, is also known as Benzaldehyde, 4-chloro-3-methyl-. This chemical's molecular formula is C8H7ClO and molecular weight is 154.59. Its systematic name is called 4-chloro-3-methylbenzaldehyde.

Physical properties about this chemical are: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.67; (4)ACD/LogD (pH 7.4): 2.67; (5)ACD/BCF (pH 5.5): 62.99; (6)ACD/BCF (pH 7.4): 62.99; (7)ACD/KOC (pH 5.5): 675.34; (8)ACD/KOC (pH 7.4): 675.34; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.574; (13)Molar Refractivity: 42.72 cm3; (14)Molar Volume: 129.3 cm3; (15)Surface Tension: 40.3 dyne/cm; (16)Density: 1.195 g/cm3; (17)Melting Point: 27-28 °C; (18)Flash Point: 105.6 °C; (19)Enthalpy of Vaporization: 47.07 kJ/mol; (20)Boiling Point: 234 °C at 760 mmHg; (21)Vapour Pressure: 0.0542 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(C=O)cc1C
(2)InChI: InChI=1/C8H7ClO/c1-6-4-7(5-10)2-3-8(6)9/h2-5H,1H3
(3)InChIKey: XEBIOIKLNGZROU-UHFFFAOYAD

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