CAS No.4754-27-2,1-PYRIDIN-3-YL-ETHANOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4754-27-2
Name:	1-PYRIDIN-3-YL-ETHANOL
Article Data:	185

Formula:	C₇H₉NO
Molecular Weight:	123.155
Synonyms:	(?à)-1-(3-Pyridyl)ethanol;1-(3-Pyridinyl)ethanol;1-(3-Pyridyl)ethanol;3-(1-Hydroxyethyl)pyridine;Methyl-3-pyridylcarbinol;NSC 526489;a-Methyl-3-pyridinemethanol;
EINECS:	225-280-3
Density:	1.082 g/cm³
Boiling Point:	239.6 °C at 760 mmHg
Flash Point:	98.7 °C
Hazard Symbols:	Xi
PSA:	33.12000
LogP:	1.13490

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Specification

The 3-(1-Hydroxyethyl)pyridine, with the CAS registry number 4754-27-2, is also known as Methyl-3-pyridylcarbinol. Its EINECS registry number is 225-280-3. This chemical's molecular formula is C₇H₉NO and molecular weight is 123.15. What's more, its IUPAC name is 1-Pyridin-3-ylethanol and systematic name is called 1-(Pyridin-3-yl)ethanol.

Physical properties about 3-(1-Hydroxyethyl)pyridine are: (1) ACD/LogP: -0.11; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -0.21; (4) ACD/LogD (pH 7.4): -0.11; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 16.4; (8) ACD/KOC (pH 7.4): 20.68; (9) #H bond acceptors: 2; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 22.12 Å²; (13) Index of Refraction: 1.535; (14) Molar Refractivity: 35.43 cm³; (15) Molar Volume: 113.7 cm³; (16) Surface Tension: 44.3 dyne/cm; (17) Density: 1.082 g/cm³; (18) Flash Point: 98.7 °C; (19) Enthalpy of Vaporization: 50.35 kJ/mol; (20) Boiling Point: 239.6 °C at 760 mmHg; (21) Vapour Pressure: 0.0216 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating and may cause inflammation to the skin or other mucous membranes. Therefore, you should be cautious about it.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(c1cccnc1)C
(2) InChI: InChI=1/C7H9NO/c1-6(9)7-3-2-4-8-5-7/h2-6,9H,1H3
(3) InChIKey: QMDUEBURHKSKDG-UHFFFAOYAO

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD25	intraperitoneal	239mg/kg (239mg/kg)		Journal of Pharmaceutical Sciences. Vol. 64, Pg. 528, 1975.