[1,1'-Biphenyl]-4-carbonylchloride, 4'-pentyl- supplier

Name
p-Pentylbiphenyl-p'-carbonyl chloride
EINECS
CAS No. 59748-37-7
Article Data10
CAS DataBase
Density 1.088 g/cm³
Solubility
Melting Point
Formula C₁₈H₁₉ClO
Boiling Point 401.3 °C at 760 mmHg
Molecular Weight 286.801
Flash Point 195.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4'-Pentyl-4-biphenylcarbonylchloride;4'-Pentylbiphenyl-4-carbonyl chloride;p-Pentylbiphenyl-p'-carbonyl chloride;
PSA 17.07000
LogP 5.46530

[1,1'-Biphenyl]-4-carbonylchloride, 4'-pentyl- Specification

This chemical is called [1,1'-Biphenyl]-4-carbonylchloride, 4'-pentyl-, and it can also be named as p-Pentylbiphenyl-p'-carbonyl chloride. With the molecular formula of C₁₈H₁₉ClO, its molecular weight is 286.7959. The CAS registry number of this chemical is 59748-37-7, and its systematic name is 4'-Pentylbiphenyl-4-carbonyl chloride.

Other characteristics of the [1,1'-Biphenyl]-4-carbonylchloride, 4'-pentyl- can be summarised as followings: (1)ACD/LogP: 6.98; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.98; (4)ACD/LogD (pH 7.4): 6.98; (5)ACD/BCF (pH 5.5): 119077.7; (6)ACD/BCF (pH 7.4): 119077.7; (7)ACD/KOC (pH 5.5): 149574.52; (8)ACD/KOC (pH 7.4): 149574.52; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 84.53 cm³; (15)Molar Volume: 263.4 cm³; (16)Polarizability: 33.51×10^-24cm³; (17)Surface Tension: 39.4 dyne/cm; (18)Density: 1.088 g/cm³; (19)Flash Point: 195.5 °C; (20)Enthalpy of Vaporization: 65.23 kJ/mol; (21)Boiling Point: 401.3 °C at 760 mmHg; (22)Vapour Pressure: 1.19E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: ClC(=O)c2ccc(c1ccc(cc1)CCCCC)cc2
2.InChI: InChI=1/C18H19ClO/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h6-13H,2-5H2,1H3
3.InChIKey: PAXFBGZCRAEDBM-UHFFFAOYAV

Product Name

p-Pentylbiphenyl-p'-carbonyl chloride

[1,1'-Biphenyl]-4-carbonylchloride, 4'-pentyl- Specification

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