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| CAS No.: | 101066-61-9 |
|---|---|
| Name: | 2-Chloroisonicotinaldehyde |
| Article Data: | 1 |
| Molecular Structure: | |
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|
|
| Formula: | C6H4ClNO |
| Molecular Weight: | 141.557 |
| Synonyms: | 2-Chloro-4-formylpyridine;2-Chloro-4-pyridinecarboxaldehyde; |
| Density: | 1.332 g/cm3 |
| Melting Point: | 46-47 °C |
| Boiling Point: | 243.4 °C at 760 mmHg |
| Flash Point: | 101 °C |
| Appearance: | White to yellow solid |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 22-36-43-36/37/38-20/21/22 |
| Safety: | 26-36/37-36/37/39-22 |
| PSA: | 29.96000 |
| LogP: | 1.54750 |
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Specification
The 2-Chloroisonicotinaldehyde with CAS registry number of 101066-61-9 is also known as 2-Chloro-4-pyridinecarboxaldehyde. The IUPAC name is 2-Chloropyridine-4-carbaldehyde. It belongs to product categories of Pyridine; Aldehyde; Pharmacetical; Aldehydes; Pyridines; Building Blocks. In addition, the formula is C6H4ClNO and the molecular weight is 141.55. This chemical is a white to yellow solid and should be sealed in cool, dry place away from strong oxidants.
Physical properties about 2-Chloroisonicotinaldehyde are: (1)ACD/LogP: 1.12; (2)ACD/LogD (pH 5.5): 1.12; (3)ACD/LogD (pH 7.4): 1.12; (4)ACD/BCF (pH 5.5): 4.19; (5)ACD/BCF (pH 7.4): 4.19; (6)ACD/KOC (pH 5.5): 97.03; (7)ACD/KOC (pH 7.4): 97.03; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.592; (11)Molar Refractivity: 35.99 cm3; (12)Molar Volume: 106.2 cm3; (13)Surface Tension: 49.8 dyne/cm; (14)Density: 1.332 g/cm3; (15)Flash Point: 101 °C; (16)Enthalpy of Vaporization: 48.04 kJ/mol; (17)Boiling Point: 243.4 °C at 760 mmHg; (18)Vapour Pressure: 0.0321 mmHg at 25 °C.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. It is harmful by inhalation, in contact with skin and if swallowed. What's more, it may cause sensitisation by skin contact. During using it, wear suitable protective clothing, gloves and eye/face protection. Do not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CN=C(C=C1C=O)Cl
2. InChI: InChI=1S/C6H4ClNO/c7-6-3-5(4-9)1-2-8-6/h1-4H
3. InChIKey: UFPOSTQMFOYHJI-UHFFFAOYSA-N