Products Categories
CAS No.: | 175201-94-2 |
---|---|
Name: | 4-CHLORO-1,3-DIMETHYLPYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLIC ACID |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C9H8ClN3O2 |
Molecular Weight: | 225.63 |
Synonyms: | 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 4-chloro-1,3-dimethyl-;4-Chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid; |
Density: | 1.57 g/cm3 |
Melting Point: | 269 °C |
Boiling Point: | 414.3 °C at 760 mmHg |
Flash Point: | 204.4 °C |
Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 68.01000 |
LogP: | 1.62830 |
What can I do for you?
Get Best Price
The 1H-Pyrazolo[3,4-b]pyridine-5-carboxylicacid, 4-chloro-1,3-dimethyl-, with the CAS registry number 175201-94-2, has the systematic name of 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid. And the molecular formula of the chemical is C9H8ClN3O2.
The characteristics of 1H-Pyrazolo[3,4-b]pyridine-5-carboxylicacid, 4-chloro-1,3-dimethyl- are as followings: (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.9; (4)ACD/LogD (pH 7.4): -2.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 57.01 Å2; (13)Index of Refraction: 1.695; (14)Molar Refractivity: 54.91 cm3; (15)Molar Volume: 142.8 cm3; (16)Polarizability: 21.77×10-24cm3; (17)Surface Tension: 56.1 dyne/cm; (18)Density: 1.57 g/cm3; (19)Flash Point: 204.4 °C; (20)Enthalpy of Vaporization: 70.35 kJ/mol; (21)Boiling Point: 414.3 °C at 760 mmHg; (22)Vapour Pressure: 1.32E-07 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1c(cnc2c1c(nn2C)C)C(=O)O
(2)InChI: InChI=1/C9H8ClN3O2/c1-4-6-7(10)5(9(14)15)3-11-8(6)13(2)12-4/h3H,1-2H3,(H,14,15)
(3)InChIKey: LHEUUYZQYKWDSY-UHFFFAOYAJ