CAS No.22276-95-5,5-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	22276-95-5
Name:	5-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine
Article Data:	57

Formula:	C₆H₃BrClN₃
Molecular Weight:	232.467
Synonyms:	5-Bromo-4-chloropyrrolo[2,3-d]pyrimidine;NSC 103801;
EINECS:	622-419-3
Density:	1.996 g/cm³
Melting Point:	221-225℃
Boiling Point:	384.3 °C at 760 mmHg
Flash Point:	186.2 °C
Solubility:	Slightly soluble in water.
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	41.57000
LogP:	2.37380

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Specification

The cas register number of 5-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine is 22276-95-5. It also can be called as 7H-Pyrrolo[2,3-d]pyrimidine,5-bromo-4-chloro- and the IUPAC Name about this chemical is 5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine. It belongs to the Chiral chemicals.

Physical properties about 5-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine are: (1)ACD/LogP: 1.15; (2)ACD/LogD (pH 5.5): 1.15; (3)ACD/LogD (pH 7.4): 1.14; (4)ACD/BCF (pH 5.5): 4.39; (5)ACD/BCF (pH 7.4): 4.35; (6)ACD/KOC (pH 5.5): 100.27; (7)ACD/KOC (pH 7.4): 99.51; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 30.71Å²; (11)Index of Refraction: 1.746; (12)Molar Refractivity: 47.29 cm³; (13)Molar Volume: 116.4 cm³; (14)Polarizability: 18.74x10^-24cm³; (15)Surface Tension: 77.3 dyne/cm; (16)Enthalpy of Vaporization: 60.82 kJ/mol; (17)Vapour Pressure: 9.14E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C2=C(N1)N=CN=C2Cl)Br
(2)InChI: InChI=1S/C6H3BrClN3/c7-3-1-9-6-4(3)5(8)10-2-11-6/h1-2H,(H,9,10,11)
(3)InChIKey: OXLMTRZWMHIZBY-UHFFFAOYSA-N