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5059-30-3

5059-30-3 Structure

5059-30-3 Structure
IdentificationMore
[Name]

2-CHLORO-1H-INDOLE-3-CARBALDEHYDE
[CAS]

5059-30-3
[Synonyms]

RARECHEM AK ML 0105
2-Chloro-3-formyl-1H-indole
2-CHLORO-INDOLE-3-CARBALDEHYDE
2-CHLORO-1H-INDOLE-3-CARBALDEHYDE
2-CHLORO-1H-INDOLE-3-CARBOXALDEHYDE
2-Chloroindole-3-carboxaldehyde,97%
2-Chloroindole-3-carboxaldehyde, 97%
1H-Indole-3-carboxaldehyde, 2-chloro-
[Molecular Formula]

C9H6ClNO
[MDL Number]

MFCD00111620
[Molecular Weight]

179.6
[MOL File]

5059-30-3.mol
Chemical PropertiesBack Directory
[Melting point ]

ca 212℃
[Boiling point ]

364.7±22.0 °C(Predicted)
[density ]

1.431±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

solid
[pka]

13.90±0.30(Predicted)
[color ]

Yellow to brown
[Water Solubility ]

Slightly soluble in water.
[Sensitive ]

Air Sensitive
[InChI]

InChI=1S/C9H6ClNO/c10-9-7(5-12)6-3-1-2-4-8(6)11-9/h1-5,11H
[InChIKey]

XYSSNBNFOBVMAU-UHFFFAOYSA-N
[SMILES]

N1C2=C(C=CC=C2)C(C=O)=C1Cl
[CAS DataBase Reference]

5059-30-3(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[HazardClass ]

IRRITANT
[HS Code ]

2933998090
Hazard InformationBack Directory
[Uses]

It is used as pharmaceutical intermediates. It is used in the synthesis of indole phytoalexin cyclobrassinon. And also in unprecedented chemical structure and biomimetic synthesis of erucalexin, a phytoalexin from the wild crucifer Erucastrum gallicum.
Spectrum DetailBack Directory
[Spectrum Detail]

2-CHLORO-1H-INDOLE-3-CARBALDEHYDE(5059-30-3)1HNMR
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