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Home > Encyclopedia > 3,5-Dimethylpyrrole-2-carboxaldehyde

3,5-Dimethylpyrrole-2-carboxaldehyde

3,5-Dimethylpyrrole-2-carboxaldehyde structure

3,5-Dimethylpyrrole-2-carboxaldehyde 

structure
  • CAS No:

    2199-58-8

  • Formula:

    C7H9NO

  • Chemical Name:

    3,5-Dimethylpyrrole-2-carboxaldehyde

  • Synonyms:

    2-ForMyl-3,5-diMethylpyrrole;3,5-Dimethyl-2-formyl-1H-pyrrole;2,4-DiMethylpyrrole-5-carboxaldehyde;3,5-Dimethyl-2-pyrrolecarboxaldehyde;3,5-DIMETHYLPYRROLE-2-CARBOXALDEHYDE;3,5-DIMETHYL-1H-PYRROLE-2-CARBALDEHYDE;3,5-DIMETHYL-1H-PYRROLE-2-CARBOXALDEHYDE;3,5-Dimethylpyrrole-2-carboxaldehyde,98%;1H-Pyrrole-2-carboxaldehyde,3,5-dimethyl-;3,5-Dimethyl-1h-pyrrole-2-carbaldehyde,95+%

  • Categories:

    Pharmaceutical Intermediates  >  Antineoplastics

Description

Colorless solid

3,5-Dimethylpyrrole-2-carboxaldehyde Basic Attributes

123.15

123.068413

112886

DTXSID40296965

2933990090

Characteristics

32.9

1.3

1.1±0.1 g/cm3

95-99 °C(lit.)

103.2±33.4 °C

1.577

Safety Information

NONH for all modes of transport

3

R36/37/38

S26-S36/37

Xi:Irritant;

P261-P305 + P351 + P338

H315-H319-H335

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3,5-Dimethylpyrrole-2-carboxaldehyde Use and Manufacturing

3,5-Dimethyl-1H-pyrrole-2-carboxaldehyde is an intermediate used in the synthesis of a series of anaplastic lymphoma kinase (ALK) inhibitors, a new target for therapy of non-small-cell lung cancer (NSCLC).

Computed Properties

Molecular Weight:123.15
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:123.068413911
Monoisotopic Mass:123.068413911
Topological Polar Surface Area:32.9
Heavy Atom Count:9
Complexity:114
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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