1H-Pyrazole-4-carboxylicacid, 3-amino-, phenylmethyl ester supplier

Name
BENZYL 5-AMINOPYRAZOLE-4-CARBOXYLATE
EINECS
CAS No. 32016-28-7
Article Data2
CAS DataBase
Density 1.342 g/cm³
Solubility
Melting Point 121-123 °C
Formula C₁₁H₁₁N₃O₂
Boiling Point 449.5 °C at 760 mmHg
Molecular Weight 217.22
Flash Point 225.6 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms Pyrazole-4-carboxylicacid, 5-amino-, benzyl ester (8CI);3-Amino-1H-pyrazole-4-carboxylic acid benzylester;
PSA 81.00000
LogP 1.93010

1H-Pyrazole-4-carboxylicacid, 3-amino-, phenylmethyl ester Specification

The 1H-Pyrazole-4-carboxylicacid, 3-amino-, phenylmethyl ester, with the CAS registry number 32016-28-7, is also known as 5-Aminopyrazole-4-carboxylic acid benzyl ester. This chemical's molecular formula is C₁₁H₁₁N₃O₂ and molecular weight is 217.22. What's more, its systematic name is called Benzyl 5-amino-1H-pyrazole-4-carboxylate. It should be kept in a cold, dry and sealed place.

Physical properties about 1H-Pyrazole-4-carboxylicacid, 3-amino-, phenylmethyl ester are: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 1.91; (5)ACD/BCF (pH 5.5): 16.67; (6)ACD/BCF (pH 7.4): 16.68; (7)ACD/KOC (pH 5.5): 260.79; (8)ACD/KOC (pH 7.4): 260.87; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 47.36 Å²; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 59.27 cm³; (15)Molar Volume: 161.8 cm³; (16)Surface Tension: 67.4 dyne/cm; (17)Density: 1.342 g/cm³; (18)Flash Point: 225.6 °C; (19)Enthalpy of Vaporization: 70.82 kJ/mol; (20)Boiling Point: 449.5 °C at 760 mmHg; (21)Vapour Pressure: 2.85E-08 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCc1ccccc1)c2cnnc2N
(2) InChI: InChI=1/C11H11N3O2/c12-10-9(6-13-14-10)11(15)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,12,13,14)
(3) InChIKey: QBEUXDWEKIOSIL-UHFFFAOYAB

Product Name

BENZYL 5-AMINOPYRAZOLE-4-CARBOXYLATE

1H-Pyrazole-4-carboxylicacid, 3-amino-, phenylmethyl ester Specification

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