CAS No.87630-40-8,3-BROMO-1H-PYRROLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	87630-40-8
Name:	3-BROMO-1H-PYRROLE
Article Data:	10

Formula:	C₄H₄BrN
Molecular Weight:	145.986
Synonyms:	3-Bromopyrrole;
Density:	1.739 g/cm³
Boiling Point:	210.837 °C at 760 mmHg
Flash Point:	81.312 °C
PSA:	15.79000
LogP:	1.77720

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Specification

The 3-Bromopyrrole with its cas register number is 87630-40-8. It also can be called as 3-Bromo-1H-pyrrole and the Systematic name about this chemical is 3-bromo-1H-pyrrole. It belongs to the following product categories, such as Halide and Benzenes.

Physical properties about 3-Bromopyrrole are: (1)ACD/LogP: 1.60; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 8; (5)ACD/BCF (pH 7.4): 8; (6)ACD/KOC (pH 5.5): 160; (7)ACD/KOC (pH 7.4): 160; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)Polar Surface Area: 15.79Å²; (11)Index of Refraction: 1.591; (12)Molar Refractivity: 28.376 cm³; (13)Molar Volume: 83.941 cm³; (14)Polarizability: 11.249x10^-24cm³; (15)Surface Tension: 44.973 dyne/cm; (16)Enthalpy of Vaporization: 42.889 kJ/mol; (17)Vapour Pressure: 0.273 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccnc1
(2)InChI: InChI=1/C4H4BrN/c5-4-1-2-6-3-4/h1-3,6H
(3)InChIKey: ZZHFDFIWLDELCX-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C4H4BrN/c5-4-1-2-6-3-4/h1-3,6H
(5)Std. InChIKey: ZZHFDFIWLDELCX-UHFFFAOYSA-N