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CAS No.: | 757978-18-0 |
---|---|
Name: | 5-Bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine |
Article Data: | 33 |
Molecular Structure: | |
Formula: | C7H4BrIN2 |
Molecular Weight: | 322.931 |
Synonyms: | 5-BROMO-3-IODO-1H-PYRROLO[2,3-B]PYRIDINE |
EINECS: | 626-727-9 |
Density: | 2.421 g/cm3 |
Melting Point: | 227.3-227.7 °C |
Boiling Point: | 392.4 °C at 760 mmHg |
Flash Point: | 191.1 °C |
Hazard Symbols: | Xi,Xn |
Risk Codes: | 22-37/38-41 |
Safety: | 26-39 |
PSA: | 28.68000 |
LogP: | 2.93000 |
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The 5-Bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine is an organic compound with the formula C7H4BrIN2. The IUPAC name of this chemical is 5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine. With the CAS registry number 757978-18-0, it is also named as 5-bromo-3-iodopyrrolo[2,3-b]pyridine. Besides, it should be stored in a closed cool and dry place.
Physical properties about 5-Bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine are: (1)ACD/LogP: 3.86; (2)ACD/LogD (pH 5.5): 3.86; (3)ACD/LogD (pH 7.4): 3.86 ; (4)#H bond acceptors: 2; (5)#H bond donors: 1; (6)Polar Surface Area: 28.68 Å2; (7)Index of Refraction: 1.804; (8)Molar Refractivity: 57.21 cm3; (9)Molar Volume: 133.3 cm3; (10)Polarizability: 22.68×10-24cm3; (11)Surface Tension: 73.8 dyne/cm; (12)Density: 2.421 g/cm3; (13)Flash Point: 191.1 °C; (14)Enthalpy of Vaporization: 61.7 kJ/mol; (15)Boiling Point: 392.4 °C at 760 mmHg; (16)Vapour Pressure: 5.21E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and risk of serious damage to eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to respiratory system and skin. When you are using it, wear eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc2c(nc1)ncc2I
(2)InChI: InChI=1/C7H4BrIN2/c8-4-1-5-6(9)3-11-7(5)10-2-4/h1-3H,(H,10,11)
(3)InChIKey: GIPGJYARDOQGDJ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C7H4BrIN2/c8-4-1-5-6(9)3-11-7(5)10-2-4/h1-3H,(H,10,11)
(5)Std. InChIKey: GIPGJYARDOQGDJ-UHFFFAOYSA-N