7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile,4-amino-6-bromo- supplier

Name
4-AMINO-6-BROMO-7H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE
EINECS
CAS No. 19393-83-0
Article Data13
CAS DataBase
Density 2.05 g/cm³
Solubility
Melting Point
Formula C₇H₄BrN₅
Boiling Point 225 °C at 760 mmHg
Molecular Weight 238.046
Flash Point 89.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile,4-amino-6-bromo- (8CI,9CI);
PSA 91.38000
LogP 1.75548

7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile,4-amino-6-bromo- Specification

The 7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile,4-amino-6-bromo-, with the CAS registry number 19393-83-0, is also known as 1H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-amino-6-bromo-. This chemical's molecular formula is C₇H₄BrN₅ and molecular weight is 238.0442. Its systematic name is called 4-amino-6-bromo-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Physical properties of 7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile,4-amino-6-bromo-: (1)ACD/LogP: 1.26; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 43; (5)ACD/KOC (pH 7.4): 43; (6)#H bond acceptors: 5; (7)#H bond donors: 3; (8)Index of Refraction: 1.802; (9)Molar Refractivity: 49.738 cm³; (10)Molar Volume: 116.119 cm³; (11)Surface Tension: 126.454 dyne/cm; (12)Density: 2.05 g/cm³; (13)Flash Point: 89.9 °C; (14)Enthalpy of Vaporization: 46.16 kJ/mol; (15)Boiling Point: 225 °C at 760 mmHg; (16)Vapour Pressure: 0.0883 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2c1c(ncnc1nc2Br)N
(2)InChI: InChI=1/C7H4BrN5/c8-5-3(1-9)4-6(10)11-2-12-7(4)13-5/h2H,(H3,10,11,12,13)
(3)InChIKey: NVJFFHZJCFOMTJ-UHFFFAOYAU

Product Name

4-AMINO-6-BROMO-7H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE

7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile,4-amino-6-bromo- Specification

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