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1-Methyl-1H-pyrazole-4-carboxaldehyde

1-Methyl-1H-pyrazole-4-carboxaldehyde structure

CAS No:
25016-11-9
Formula:
C5H6N2O
Chemical Name:
1-Methyl-1H-pyrazole-4-carboxaldehyde
Synonyms:
1H-Pyrazole-4-carboxaldehyde,1-methyl-;Pyrazole-4-carboxaldehyde,1-methyl-;1-Methyl-1H-pyrazole-4-carboxaldehyde;4-Formyl-1-methylpyrazole;1-Methyl-4-pyrazolecarboxaldehyde;1-Methyl-4-formylpyrazole;1-Methyl-1H-pyrazole-4-carbaldehyde;1-Methyl-1H-pyrazol-4-carboxaldehyde;1-Methylpyrazole-4-carbaldehyde
Categories:
Organic Chemistry > Coordination Complexes

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1-Methyl-1H-pyrazole-4-carboxaldehyde Basic Attributes

Molecular Weight：

110.11400

Exact Mass：

110.11

DSSTox ID：

DTXSID00341445

HScode：

2933199090

Characteristics

PSA：

34.89000

XLogP3：

0.23260

Density：

1.14 g/cm3

Melting Point：

29-34ºC

Boiling Point：

106-108 °C @ Press: 20 Torr

Flash Point：

110ºC

Refractive Index：

1.502

Vapor Pressure：

0.0003mmHg at 25°C

Safety Information

hazard class code：

R37/38; R41; R43

safety instructions：

S26-S36/37/39

Marks：

GHS Classification：

|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P333+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:110.11
XLogP3:-0.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:110.048012819
Monoisotopic Mass:110.048012819
Topological Polar Surface Area:34.9
Heavy Atom Count:8
Complexity:94.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Methyl-1H-pyrazole-4-carboxaldehyde

Basic Attributes
Characteristics
Safety Information
Computed Properties
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