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CAS No.: | 2859-67-8 |
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Name: | 3-Pyridinepropanol |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C8H11NO |
Molecular Weight: | 137.181 |
Synonyms: | 3-(3-Hydroxypropyl)pyridine;3-(3-Pyridinyl)-1-propanol;3-(3-Pyridyl)-1-propanol;3-(3-Pyridyl)propanol;3-(Pyridin-3-yl)propanol;3-(b-Pyridyl)propanol;NSC 66564; |
EINECS: | 220-675-7 |
Density: | 1.059 g/cm3 |
Boiling Point: | 283.999 °C at 760 mmHg |
Flash Point: | 116.378 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 33.12000 |
LogP: | 1.00650 |
The 3-Pyridinepropanol, its cas register number is 2859-67-8. It also can be called as 3-(3-Pyridyl)-1-propanol and the IUPAC name about this chemical is 3-Pyridin-3-ylpropan-1-ol. It belongs to the Heterocyclic Compounds.
Physical properties about 3-Pyridinepropanol are: (1)#H bond acceptors: 2; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 22.12Å2; (5)Index of Refraction: 1.53; (6)Molar Refractivity: 40.06 cm3; (7)Molar Volume: 129.4 cm3; (8)Polarizability: 15.88x10-24cm3; (9)Surface Tension: 44.5 dyne/cm; (10)Enthalpy of Vaporization: 55.23 kJ/mol; (11)Vapour Pressure: 0.00144 mmHg at 25°C
Uses of 3-Pyridinepropanol: it can react with 1-fluoro-4-nitro-benzene to give 3-[3-(4-nitro-phenoxy)-propyl]-pyridine.
This reaction needs reagent dimethylformamide and NaH at temperature of 0 ℃ . The reaction time is 1 hours. The yield is 75.7 % .
When you are using this chemical, you should be very cautious. Being a kind of irritant chemical, it is irritating to eyes, respiratory system and skin. When you are contacting with it, wear suitable gloves and eye/face protection. And if in case of contacting 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=CC(=CN=C1)CCCO
(2)InChI: InChI=1S/C8H11NO/c10-6-2-4-8-3-1-5-9-7-8/h1,3,5,7,10H,2,4,6H2
(3)InChIKey: ZUGAIMFLQLPTKB-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
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mouse | LD50 | intravenous | 180mg/kg (180mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01584, |