1H-Pyrazole,3-(4-methoxyphenyl)- supplier

Name
3-(4-METHOXYPHENYL)PYRAZOLE
EINECS
CAS No. 27069-17-6
Article Data18
CAS DataBase
Density 1.159 g/cm³
Solubility
Melting Point 127-130 °C
Formula C₁₀H₁₀N₂O
Boiling Point 373.1 °C at 760 mmHg
Molecular Weight 174.202
Flash Point 135.9 °C
Transport Information
Appearance White to light yellow crystalline powder
Safety 37/39-26
Risk Codes 36/37/38-22
Molecular Structure
Hazard Symbols Xn,Xi
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;
PSA 37.91000
LogP 2.08530

1H-Pyrazole,3-(4-methoxyphenyl)- 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

Product Name

3-(4-METHOXYPHENYL)PYRAZOLE

1H-Pyrazole,3-(4-methoxyphenyl)- Specification

Related Products

Hot Products