CAS No.15366-34-4,METHYL 1H-PYRAZOLE-3-CARBOXYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	15366-34-4
Name:	METHYL 1H-PYRAZOLE-3-CARBOXYLATE
Article Data:	29

Formula:	C₅H₆N₂O₂
Molecular Weight:	126.115
Synonyms:	Pyrazole-3-carboxylicacid, methyl ester (6CI,8CI);Methyl3-pyrazolecarboxylate;
EINECS:	675-309-2
Density:	1.275 g/cm³
Melting Point:	141-142 °C
Boiling Point:	271.1 °C at 760 mmHg
Flash Point:	117.8 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	22
PSA:	54.98000
LogP:	0.19630

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Specification

The CAS register number of 1H-Pyrazole-3-carboxylicacid, methyl ester is 15366-34-4. It also can be called as 1H-Pyrazole-3-carboxylic acid methyl ester and the IUPAC name about this chemical is methyl 1H-pyrazole-5-carboxylate. The molecular formula about this chemical is C₅H₆N₂O₂and the molecular weight is 126.11. It belongs to the Pharmacetical. This chemical is irritating to eyes, respiratory system and skin. When you are using it, you need do not breathe dust.

Physical properties about 1H-Pyrazole-3-carboxylicacid, methyl ester are: (1)ACD/LogP: 0.30; (2)ACD/LogD (pH 5.5): 0.29; (3)ACD/LogD (pH 7.4): 0.29; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 34.47; (7)ACD/KOC (pH 7.4): 34.46; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 44.12Å²; (12)Index of Refraction: 1.53; (13)Molar Refractivity: 30.55 cm³; (14)Molar Volume: 98.8 cm³; (15)Polarizability: 12.11x10^-24cm³; (16)Surface Tension: 52.2 dyne/cm; (17)Enthalpy of Vaporization: 50.94 kJ/mol; (18)Boiling Point: 271.1 °C at 760 mmHg; (19)Vapour Pressure: 0.00657 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ccnn1
(2)InChI: InChI=1/C5H6N2O2/c1-9-5(8)4-2-3-6-7-4/h2-3H,1H3,(H,6,7)
(3)InChIKey: ORUCTBNNYKZMSK-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C5H6N2O2/c1-9-5(8)4-2-3-6-7-4/h2-3H,1H3,(H,6,7)
(5)Std. InChIKey: ORUCTBNNYKZMSK-UHFFFAOYSA-N