CAS No.27069-17-6,3-(4-METHOXYPHENYL)PYRAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	27069-17-6
Name:	3-(4-METHOXYPHENYL)PYRAZOLE
Article Data:	18

Formula:	C₁₀H₁₀N₂O
Molecular Weight:	174.202
Synonyms:	3-(4-Methoxyphenyl)-1H-pyrazole;3-(4-Methoxyphenyl)Pyrazole;5-(4-Methoxyphenyl)-1H-pyrazole;Pyrazole, 5-(4-methoxyphenyl)-;4-ethoxy-1-pyrazol-3-ylbenzene;
Density:	1.159 g/cm³
Melting Point:	127-130 °C
Boiling Point:	373.1 °C at 760 mmHg
Flash Point:	135.9 °C
Appearance:	White to light yellow crystalline powder
Hazard Symbols:	Xn,Xi
Risk Codes:	36/37/38-22
Safety:	37/39-26
PSA:	37.91000
LogP:	2.08530

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Specification

The 1H-Pyrazole,3-(4-methoxyphenyl)-, with the CAS registry number 27069-17-6, is also known as 3-(4-Methoxyphenyl)-1H-pyrazole. This chemical's molecular formula is C₁₀H₁₀N₂O and molecular weight is 174.20. What's more, its IUPAC name is 5-(4-methoxyphenyl)-1H-pyrazole.

Physical properties of 1H-Pyrazole,3-(4-methoxyphenyl)- are: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.89; (4)ACD/LogD (pH 7.4): 1.89; (5)ACD/BCF (pH 5.5): 16.06; (6)ACD/BCF (pH 7.4): 16.08; (7)ACD/KOC (pH 5.5): 253.8; (8)ACD/KOC (pH 7.4): 254.2; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 27.05 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 50.04 cm³; (15)Molar Volume: 150.2 cm³; (16)Polarizability: 19.84×10^-24cm³; (17)Surface Tension: 45.8 dyne/cm; (18)Density: 1.159 g/cm³; (19)Flash Point: 135.9 °C; (20)Enthalpy of Vaporization: 59.59 kJ/mol; (21)Boiling Point: 373.1 °C at 760 mmHg; (22)Vapour Pressure: 1.97E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health and inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. It is also harmful if swallowed. 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 gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c2ccc(c1ccnn1)cc2)C
(2)Std. InChI: InChI=1S/C10H10N2O/c1-13-9-4-2-8(3-5-9)10-6-7-11-12-10/h2-7H,1H3,(H,11,12)
(3)Std. InChIKey: QUSABYOAMXPMQH-UHFFFAOYSA-N