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CAS No.: | 39217-08-8 |
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Name: | 2-Chloro-3,4-diaminopyridine |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C5H6ClN3 |
Molecular Weight: | 143.576 |
Synonyms: | 2-Chloropyridine-3,4-diamine;3,4-Diamino-2-chloropyridine;NSC 143160; |
Density: | 1.448 g/cm3 |
Melting Point: | 158-163 °C |
Boiling Point: | 381.338 °C at 760 mmHg |
Flash Point: | 184.427 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37 |
PSA: | 64.93000 |
LogP: | 2.06180 |
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The 2-Chloro-3,4-diaminopyridine, with the CAS registry number 39217-08-8, is also known as 2-Chloropyridin-3,4-diamine. It belongs to the product categories of Pharmacetical; Building Blocks; C5; Chemical Synthesis; Heterocyclic Building Blocks; Pyridines. This chemical's molecular formula is C5H6ClN3 and molecular weight is 143.57. What's more, its systematic name is 2-Chloro-3,4-pyridinediamine.
Physical properties of 2-Chloro-3,4-diaminopyridine are: (1)ACD/LogP: 0.798; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.77; (4)ACD/LogD (pH 7.4): 0.80; (5)ACD/BCF (pH 5.5): 2.24; (6)ACD/BCF (pH 7.4): 2.38; (7)ACD/KOC (pH 5.5): 60.92; (8)ACD/KOC (pH 7.4): 64.65; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 64.93 Å2; (13)Index of Refraction: 1.685; (14)Molar Refractivity: 37.711 cm3; (15)Molar Volume: 99.168 cm3; (16)Polarizability: 14.95×10-24cm3; (17)Surface Tension: 72.1 dyne/cm; (18)Density: 1.448 g/cm3; (19)Flash Point: 184.427 °C; (20)Enthalpy of Vaporization: 62.96 kJ/mol; (21)Boiling Point: 381.338 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective gloves.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cnc(c(c1N)N)Cl
(2)Std. InChI: InChI=1S/C5H6ClN3/c6-5-4(8)3(7)1-2-9-5/h1-2H,8H2,(H2,7,9)
(3)Std. InChIKey: PWOIYBVEDIFBEO-UHFFFAOYSA-N