CAS No.239137-39-4,3-Amino-4-bromopyridine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	239137-39-4
Name:	3-Amino-4-bromopyridine
Article Data:	1

Formula:	C₅H₅BrN₂
Molecular Weight:	173.012
Synonyms:	4-bromopyridin-3-amine;4-Bromo-3-pyridinamine;
EINECS:	678-655-2
Density:	1.71 g/cm³
Boiling Point:	287.6 °C at 760 mmHg
Flash Point:	127.7 °C
Appearance:	white solid
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	38.91000
LogP:	2.00750

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Specification

The 3-Amino-4-bromopyridine, with the CAS registry number 239137-39-4, has the systematic name of 4-bromopyridin-3-amine. It belongs to the following product categories: Heterocyclic Series; Pyridine; Pyridines. And the molecular formula of this chemical is C₅H₅BrN₂.

The physical properties of 3-Amino-4-bromopyridine are as following: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.23; (4)ACD/LogD (pH 7.4): 1.28; (5)ACD/BCF (pH 5.5): 4.94; (6)ACD/BCF (pH 7.4): 5.53; (7)ACD/KOC (pH 5.5): 105.62; (8)ACD/KOC (pH 7.4): 118.37; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 16.13 Å²; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 36.27 cm³; (15)Molar Volume: 101.1 cm³; (16)Polarizability: 14.37×10^-24cm³; (17)Surface Tension: 56.9 dyne/cm; (18)Density: 1.71 g/cm³; (19)Flash Point: 127.7 °C; (20)Enthalpy of Vaporization: 52.67 kJ/mol; (21)Boiling Point: 287.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00247 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccncc1N
(2)InChI: InChI=1/C5H5BrN2/c6-4-1-2-8-3-5(4)7/h1-3H,7H2
(3)InChIKey: LKQGBXRGSPSTES-UHFFFAOYAJ