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Basic Information
CAS No.: 123148-78-7
Name: 4-Chloro-5-iodo-7H-pyrrol[2,3-d]pyrimidine
Article Data: 67
Molecular Structure:
Molecular Structure of 123148-78-7 (4-Chloro-5-iodo-7H-pyrrol[2,3-d]pyrimidine)
Formula: C6H3ClIN3
Molecular Weight: 279.467
Synonyms: 1H-Pyrrolo[2,3-d]pyrimidine,4-chloro-5-iodo- (9CI);4-Chloro-5-iodopyrrolo[2,3-d]pyrimidine;
EINECS: 626-377-7
Density: 2.284 g/cm3
Melting Point: 179-183 °C
Boiling Point: 241.0±50.0 °C(Predicted)
Solubility: Insoluble in water.
Hazard Symbols: HarmfulXn
Risk Codes: 22-36/37/38
Safety: 26-36/37
PSA: 41.57000
LogP: 2.21590
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Chemistry

Molecule structure of 7H-Pyrrolo[2,3-d]pyrimidine,4-chloro-5-iodo- (CAS NO.123148-78-7):

Molecular Weight: 279.4656 g/mol
Molecular Formula: C6H3ClIN3 
Density: 2.284 g/cm3 
Melting Point: 179-183 °C
Index of Refraction: 1.804
Molar Refractivity: 52.513 cm3
Molar Volume: 122.343 cm3
Polarizability: 20.818×10-24 cm3
Surface Tension: 84.094 dyne/cm 
InChI: InChI=1/C6H3ClIN3/c7-5-4-3(8)1-9-6(4)11-2-10-5/h1-2H,(H,9,10,11) 
InChIKey of 7H-Pyrrolo[2,3-d]pyrimidine,4-chloro-5-iodo- (CAS NO.123148-78-7): CBWBJFJMNBPWAL-UHFFFAOYAO
 

Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 22-36/37/38 
R22:Harmful if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37:Wear suitable protective clothing and gloves.

Specification

 7H-Pyrrolo[2,3-d]pyrimidine,4-chloro-5-iodo- (CAS NO.123148-78-7) is also named as 4-Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine ; 4-Chloro-5-iodo-7H-pyrrol[2,3-d]pyrimidine .