CAS No.115170-40-6,5-BROMO-2,3-DIHYDRO-1H-PYRROLO[2,3-B]PYRIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	115170-40-6
Name:	5-BROMO-2,3-DIHYDRO-1H-PYRROLO[2,3-B]PYRIDINE
Article Data:	14

Formula:	C₇H₇BrN₂
Molecular Weight:	199.05
Synonyms:	5-Bromo-2,3-dihydro-7-azaindole;
EINECS:	634-550-3
Density:	1.606 g/cm³
Melting Point:	186-191 (Decomposition)
Boiling Point:	301.277 °C at 760 mmHg
Flash Point:	136.008 °C
Hazard Symbols:	Xn
Risk Codes:	22
Safety:	24/25
PSA:	24.92000
LogP:	1.95010

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Specification

The 5-Bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine, with the cas registry number of 115170-40-6, is also called 5-Bromo-2,3-dihydro-7-azaindole. Its product categories are various, including Amines and Anilines; Heterocycles; CHIRAL CHEMICALS; Non-Chiral heterocyclic compounds. And the molecular formula of the chemical is C₇H₇BrN₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 37; (6)ACD/BCF (pH 7.4): 48; (7)ACD/KOC (pH 5.5): 426; (8)ACD/KOC (pH 7.4): 557; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 24.92 Å²; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 42.945 cm³; (15)Molar Volume: 123.966 cm³; (16)Polarizability: 17.025×10^-24cm³; (17)Surface Tension: 50.774 dyne/cm; (18)Density: 1.606 g/cm³; (19)Flash Point: 136.008 °C; (20)Enthalpy of Vaporization: 54.141 kJ/mol; (21)Boiling Point: 301.277 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1cc2CCNc2nc1
(2)InChI: InChI=1/C7H7BrN2/c8-6-3-5-1-2-9-7(5)10-4-6/h3-4H,1-2H2,(H,9,10)
(3)InChIKey: UZGNFPCHQUHZAI-UHFFFAOYAS