Name: 4-CHLORO-3-METHYLBENZALDEHYDE
SKU: 101349-71-7

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Basic Information

Molecular Structure:
CAS No.:	101349-71-7
Name:	4-CHLORO-3-METHYLBENZALDEHYDE
Article Data:	3

Formula:	C₈H₇ClO
Molecular Weight:	154.596
Synonyms:	m-Tolualdehyde,4-chloro- (6CI);4-Chloro-3-methylbenzaldehyde;5-Chloro-4-methyl-2-benzaldehyde;
Density:	1.195 g/cm³
Melting Point:	27-28 °C
Boiling Point:	234 °C at 760 mmHg
Flash Point:	105.6 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	17.07000
LogP:	2.46090

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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