CAS No.4737-50-2,N-PENTYLBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4737-50-2
Name:	N-PENTYLBORONIC ACID
Article Data:	1

Formula:	C₅H₁₃BO₂
Molecular Weight:	115.968
Synonyms:	1-Pentaneboronicacid (6CI,7CI,8CI);Boronic acid, pentyl- (9CI);NSC 524968;Pentylboronic acid;
EINECS:	808-197-2
Density:	0.905 g/cm³
Melting Point:	94°C(lit.)
Boiling Point:	207.9 °C at 760 mmHg
Flash Point:	79.5 °C
Risk Codes:	36/37/38
Safety:	26-37

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Specification

The Pentylboronic acid, with the CAS registry number 4737-50-2, is also called 1-Pentaneboronic acid. The molecular formula of the chemical is C₅H₁₃BO₂. And it belongs to the following product categories: Alkyl; Boronic acid; Organoborons.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 18.46 Å²; (7)Index of Refraction: 1.409; (8)Molar Refractivity: 31.71 cm³; (9)Molar Volume: 128 cm³; (10)Polarizability: 12.57×10^-24cm³; (11)Surface Tension: 30.7 dyne/cm; (12)Density: 0.905 g/cm³; (13)Flash Point: 79.5 °C; (14)Enthalpy of Vaporization: 51.66 kJ/mol; (15)Boiling Point: 207.9 °C at 760 mmHg; (16)Vapour Pressure: 0.0513 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: InChI=1/C5H13BO2/c1-2-3-4-5-6(7)8/h7-8H,2-5H2,1H3
(2)InChI: InChI=1/C5H13BO2/c1-2-3-4-5-6(7)8/h7-8H,2-5H2,1H3
(3)InChIKey: ABWPXVJNCQKYDR-UHFFFAOYAX