1-Phenyl-1H-pyrazole-4-carboxylic acid supplier

Name
1-Phenyl-1H-pyrazole-4-carboxylic acid
EINECS 413-030-8
CAS No. 1134-50-5
Article Data11
CAS DataBase
Density 1.28g/cm³
Solubility
Melting Point 222-227℃
Formula C₁₀H₈N₂O₂
Boiling Point 379.6 °C at 760 mmHg
Molecular Weight 188.186
Flash Point 183.4 °C
Transport Information
Appearance Light yellow powder
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols
Synonyms Pyrazole-4-carboxylicacid, 1-phenyl- (6CI,7CI,8CI);1-Phenyl-1H-pyrazole-4-carboxylic acid;1-Phenylpyrazole-4-carboxylic acid;4-Carboxy-1-phenylpyrazole;
PSA 55.12000
LogP 1.57050

1-Phenyl-1H-pyrazole-4-carboxylic acid Specification

The 1-Phenyl-1H-pyrazole-4-carboxylic acid with the cas number 1134-50-5 is also called 1H-Pyrazole-4-carboxylicacid, 1-phenyl-. The IUPAC name is 1-phenylpyrazole-4-carboxylic acid. Its molecular formula is C₁₀H₈N₂O₂. This chemical is irritant. While using this chemical, you should be very cautious.

The properties of the chemical are: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.05; (4)ACD/LogD (pH 7.4): -1.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.12 Å²; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 52.24 cm³; (15)Molar Volume: 146.5 cm³; (16)Polarizability: 20.71×10^-24cm³; (17)Surface Tension: 53.2 dyne/cm; (18)Enthalpy of Vaporization: 66.21 kJ/mol; (19)Vapour Pressure: 1.93×10^-6 mmHg at 25°C.

Preparation: This chemical can be prepared by 1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester. This reaction needs reagent 2 N sodium hydroxide and solvent ethanol at temperature of 90 °C. The reaction time is 30 min. The yield is 99%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cn(nc1)c2ccccc2
(2)InChI: InChI=1/C10H8N2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7H,(H,13,14)
(3)InChIKey: ZROILLPDIUNLSE-UHFFFAOYAR

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	intraperitoneal	400mg/kg (400mg/kg)		Farmakologiya i Toksikologiya Vol. 27, Pg. 295, 1964.

Product Name

1-Phenyl-1H-pyrazole-4-carboxylic acid

1-Phenyl-1H-pyrazole-4-carboxylic acid Specification

Related Products

Hot Products