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3-Methylpyrazole

3-Methylpyrazole structure

CAS No:
1453-58-3
Formula:
C4H6N2
Chemical Name:
3-Methylpyrazole
Synonyms:
1H-Pyrazole,3-methyl-;Pyrazole,3-methyl-;Pyrazole,3(or 5)-methyl-;3-Methyl-1H-pyrazole;3-Methylpyrazole;5-Methylpyrazole;1706-48-5;73616-29-2;77624-22-7;82357-97-9;84736-94-7;1198420-88-0
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear light yellow liquid3-methyl-pyrazole can be used as an additive in the MTO-catalyzed epoxidation of alkenes.

3-Methylpyrazole Basic Attributes

Molecular Weight：

82.1

Exact Mass：

82.10

BRN：

1454

EC Number：

215-925-7

UNII：

W7KU1RRO6U

DSSTox ID：

DTXSID3073260

HScode：

29331990

Characteristics

PSA：

28.7

XLogP3：

0.6

Appearance：

Clear light yellow Liquid

Density：

1.0206 g/cm³ @ Temp: 14 °C

Melting Point：

36.5 °C

Boiling Point：

204 °C

Flash Point：

200 °F

Refractive Index：

n 20/D 1.495(lit.)

Water Solubility：

miscible

Storage Conditions：

Refrigerator

Vapor Pressure：

0.579mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

2810

wgk germany：

hazard class code：

22-36/37/38-68-34

safety instructions：

26-36-24/25

RTECS Number：

UQ7340000

Marks：

Xn,C

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P201-P280-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338-P308 + P313

Hazard Statements：

H302-H314-H361

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 54 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3(5)-methylpyrazole

3-Methylpyrazole Use and Manufacturing

Its application as nitrification inhibitor of nitrogen fertilizers

Computed Properties

Molecular Weight:82.10
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:82.053098200
Monoisotopic Mass:82.053098200
Topological Polar Surface Area:28.7
Heavy Atom Count:6
Complexity:44.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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