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CAS No.: | 36404-88-3 |
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Name: | 2-Chloro-3-pyridinecarboxaldehyde |
Article Data: | 36 |
Molecular Structure: | |
Formula: | C6H4ClNO |
Molecular Weight: | 141.557 |
Synonyms: | 2-Chloro-3-formylpyridine;2-Chloronicotinaldehyde; |
Density: | 1.332 g/cm3 |
Melting Point: | 50-54 °C(lit.) |
Boiling Point: | 242.264 °C at 760 mmHg |
Flash Point: | 100.318 °C |
Appearance: | white to light yellow crystal |
Hazard Symbols: | Xn, Xi |
Risk Codes: | 22-36-43 |
Safety: | 26-36/37 |
PSA: | 29.96000 |
LogP: | 1.54750 |
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The 2-Chloro-3-pyridinecarboxaldehyde, with its cas register number 36404-88-3, has the IUPAC name of 2-chloropyridine-3-carbaldehyde. Besides, it has other names as chloro-2-formyl-3-pyridine; 2-chloro-pyridine-3-carbaldehyde; 2-chloro-pyridin-3-carbaldehyde; 2-chloronicotinaldehyde; 2-chloro-3-formylpyridine.
The characteristics of this chemical are as below: (1)ACD/LogP: 0.92 ; (2)ACD/LogD (pH 5.5): 0.916; (3)ACD/LogD (pH 7.4): 0.916; (4)ACD/BCF (pH 5.5): 2.923; (5)ACD/BCF (pH 7.4): 2.923; (6)ACD/KOC (pH 5.5): 74.998; (7)ACD/KOC (pH 7.4): 74.998; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.96 ; (11)Index of Refraction: 1.593; (12)Molar Refractivity: 35.992 cm3; (13)Molar Volume: 106.274 cm3; (14)Polarizability: 14.268 ×10-24 cm3; (15)Surface Tension: 49.824 dyne/cm; (16)Density: 1.332 g/cm3; (17)Flash Point: 100.318 °C; (18)Enthalpy of Vaporization: 47.924 kJ/mol; (19)Boiling Point: 242.264 °C at 760 mmHg; (20)Vapour Pressure: 0.034 mmHg at 25°C.
Below are the risk and safety inforamtion of this chemical. This is a kind of harmful chemical, and it may cause damage to health. If swallowed, it will be very harmful. Besides, it is irritant to eyes and may cause inflammation to the skin or other mucous membranes and it may cause sensitisation by skin contact. So while dealing with this chemical, you should be very cautious and had better take the following instructions. Wear suitable protective clothing and gloves, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. Then you could also go to WGK Germany 3 to obtain more safety information.
As to its raw materials, they are various, including hydrochloric acid, ethyl acetate, tetrahydrofuran, sodium, n,n-dimethylformamide, sodium sulfate, magnesium sulfate, triethylamine, ammonium hydroxide, sodium chloride, n-butyllithium, hexane, nitrogen, ammonium chloride , diisopropylamine, 2-chloropyridine, 1,3-dimethyl-3,4,5,6-tetrahydro-2(1h)-pyrimidinone. Besides, its product categories are including pyridine; pharmacetical; pyridines; aldehyde; building blocks; chiral chemicals; chlorinated heterocyclic series.
Additionally, you could convert the following data information to obtain the molecular structure:
SMILES:c1cc(c(nc1)Cl)C=O
InChI:InChI=1/C6H4ClNO/c7-6-5(4-9)2-1-3-8-6/h1-4H