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5H-Pyrrolo[3,2-d]pyrimidine-7-carboxylicacid, 4-chloro-, lithium salt (1:1) (853058-43-2)

Identification
Name:5H-Pyrrolo[3,2-d]pyrimidine-7-carboxylicacid, 4-chloro-, lithium salt (1:1)
Synonyms:5H-Pyrrolo[3,2-d]pyrimidine-7-carboxylicacid, 4-chloro-, lithium salt (9CI)
CAS:853058-43-2
Molecular Formula: C7H4 Cl N3 O2 . Li
Molecular Weight: 0
InChI: InChI=1/C7H4ClN3O2/c8-6-5-4(10-2-11-6)3(1-9-5)7(12)13/h1-2,9H,(H,12,13)
Molecular Structure: (C7H4ClN3O2.Li) 5H-Pyrrolo[3,2-d]pyrimidine-7-carboxylicacid, 4-chloro-, lithium salt (9CI)
Properties
Flash Point: 252.9°C
Boiling Point: 494.5°C at 760 mmHg
Density:1.751g/cm3
Refractive index:1.762
Specification:

The systematic name of 4-Chloro-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid is 4-chloro-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid. With the CAS registry number 853058-43-2, it is also named as 5H-Pyrrolo[3,2-d]pyrimidine-7-carboxylic acid, 4-chloro-. The product's category is chiral chemicals. Its molecular formula is C7H4ClN3O2 and its molecular weight is 197.58. 

The other characteristics of 4-Chloro-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid can be summarized as: (1)ACD/LogP: 0.73 ; (2)# of Rule of 5 Violations: 0 ; (3)H bond acceptors: 5 ; (4)H bond donors: 2 ; (5)Freely Rotating Bonds: 1 ; (6)Index of Refraction: 1.762 ; (7)Molar Refractivity: 46.53 cm3 ; (8)Molar Volume: 112.7 cm3 ; (9)Surface Tension: 100.3 dyne/cm ; (10)Density: 1.751 g/cm3 ; (11)Flash Point: 252.9 °C ; (12)Enthalpy of Vaporization: 80.24 kJ/mol ; (13)Boiling Point: 494.5 °C at 760 mmHg ; (14)Vapour Pressure: 1.35E-10 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:c1c(c2c([nH]1)c(ncn2)Cl)C(=O)O;
(2)InChI:InChI=1/C7H4ClN3O2/c8-6-5-4(10-2-11-6)3(1-9-5)7(12)13/h1-2,9H,(H,12,13);
(3)InChIKey:SYUREEKHRDWOJX-UHFFFAOYAR;
(4)Std. InChI:InChI=1S/C7H4ClN3O2/c8-6-5-4(10-2-11-6)3(1-9-5)7(12)13/h1-2,9H,(H,12,13);
(5)Std. InChIKey:SYUREEKHRDWOJX-UHFFFAOYSA-N.

Flash Point: 252.9°C
Safety Data
 

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