4-Chloro-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid supplier

Name
4-Chloro-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid
EINECS
CAS No. 853058-43-2
Density 1.751 g/cm³
Solubility
Melting Point
Formula C₇H₄ClN₃O₂
Boiling Point 494.5 °C at 760 mmHg
Molecular Weight 203.514
Flash Point 252.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5H-Pyrrolo[3,2-d]pyrimidine-7-carboxylic acid, 4-chloro-;
PSA 78.87000
LogP 1.30950

4-Chloro-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid 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.

Product Name

4-Chloro-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid

4-Chloro-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid Specification

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