CAS No.139502-80-0,4'-CHLOROBIPHENYL-3-CARBALDEHYDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	139502-80-0
Name:	4'-CHLOROBIPHENYL-3-CARBALDEHYDE
Article Data:	6

Formula:	C₁₃H₉ClO
Molecular Weight:	216.667
Synonyms:	AKOS BAR-0065;4-CHLOROBIPHENYL-3-CARBALDEHYDE;4-CHLORO[1,1-BIPHENYL]-3-CARBALDEHYDE;4-CHLORO[1,1-BIPHENYL]-3-CARBOXALDEHYDE;3-(4-CHLOROPHENYL)BENZALDEHYDE;4-Chloro-3-formylbiphenyl, 3-(4-Chlorophenyl)benzaldehyde
Density:	1.214 g/cm³
Melting Point:	56-60 °C
Boiling Point:	358.9 °C at 760 mmHg
Flash Point:	185.6 °C
Hazard Symbols:	Xn； Xi； N
Risk Codes:	22-36/37/38-51/53
Safety:	26-36/37-61
Transport Information:	UN 3077
PSA:	17.07000
LogP:	3.81950

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Specification

The [1,1'-Biphenyl]-3-carboxaldehyde,4'-chloro-, with CAS registry number 139502-80-0, has the systematic name of 4'-chlorobiphenyl-3-carbaldehyde. This chemical belongs to the following product category: Pharmacetical. Besides this, it is also called 3-(4-Chlorophenyl)benzaldehyde. And the chemical formula of this chemical is C₁₃H₉ClO.

Physical properties of [1,1'-Biphenyl]-3-carboxaldehyde,4'-chloro-: (1)ACD/LogP: 4.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.25; (4)ACD/LogD (pH 7.4): 4.25; (5)ACD/BCF (pH 5.5): 995.69; (6)ACD/BCF (pH 7.4): 995.69; (7)ACD/KOC (pH 5.5): 4871.45; (8)ACD/KOC (pH 7.4): 4871.45; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 62.49 cm³; (15)Molar Volume: 178.3 cm³; (16)Polarizability: 24.77×10^-24cm³; (17)Surface Tension: 44.8 dyne/cm; (18)Density: 1.214 g/cm³; (19)Flash Point: 185.6 °C; (20)Enthalpy of Vaporization: 60.45 kJ/mol; (21)Boiling Point: 358.9 °C at 760 mmHg; (22)Vapour Pressure: 2.46E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The [1,1'-Biphenyl]-3-carboxaldehyde,4'-chloro- irritates to eyes, respiratory system and skin. And it is harmful if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. Secondly, this chemical is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment, so avoid release it to the environment. Refer to special instructions / safety data sheets.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(c1cc(C=O)ccc1)cc2
(2)InChI: InChI=1/C13H9ClO/c14-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h1-9H
(3)InChIKey: JIBHWLKAALCSRU-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C13H9ClO/c14-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h1-9H
(5)Std. InChIKey: JIBHWLKAALCSRU-UHFFFAOYSA-N