ChemicalBook--->CAS DataBase List--->85102-99-4

85102-99-4

85102-99-4 Structure

85102-99-4 Structure
IdentificationMore
[Name]

1-BENZYL-1H-IMIDAZOLE-5-CARBOXALDEHYDE
[CAS]

85102-99-4
[Synonyms]

1-BENZYL-1H-IMIDAZOLE-5-CARBALDEHYDE
1-BENZYL-1H-IMIDAZOLE-5-CARBOXALDEHYDE
1-BENZYLIMIDAZOLE-5-CARBALDEHYDE
3-BENZYL-3H-IMIDAZOLE-4-CARBALDEHYDE
AKOS BB-8933
ASINEX-REAG BAS 12433644
TIMTEC-BB SBB010121
1-Benzyl-1H-imidazole-5-carbox
[Molecular Formula]

C11H10N2O
[MDL Number]

MFCD02179539
[Molecular Weight]

186.21
[MOL File]

85102-99-4.mol
Chemical PropertiesBack Directory
[Melting point ]

46-49°C
[Boiling point ]

201-203 °C(Press: 23 Torr)
[density ]

1.12±0.1 g/cm3(Predicted)
[storage temp. ]

Keep Cold
[solubility ]

DCM
[form ]

Solid
[pka]

3.65±0.13(Predicted)
[color ]

Pale Yellow
[InChI]

1S/C11H10N2O/c14-8-11-6-12-9-13(11)7-10-4-2-1-3-5-10/h1-6,8-9H,7H2
[InChIKey]

QONDAZCJAPQGRX-UHFFFAOYSA-N
[SMILES]

O=Cc1cncn1Cc2ccccc2
[CAS DataBase Reference]

85102-99-4(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Danger
[Hazard statements ]

H225-H302-H401-H412
[Precautionary statements ]

P210-P233-P240-P241-P242-P243-P264-P270-P273-P280-P301+P312+P330-P303+P361+P353-P370+P378-P403+P235-P501
[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 .
[WGK Germany ]

WGK 3
[Hazard Note ]

Irritant/Keep Cold
[HazardClass ]

IRRITANT
[HS Code ]

2933299090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Hazard InformationBack Directory
[Uses]

3-Benzyl-3H-imidazole-4-carboxaldehyde is an constituent in the synthesis of Fadolmidine (F101040), a novel α2-adrenoceptor (α2-AR) agonist that exhibits antinociception properties.
Spectrum DetailBack Directory
[Spectrum Detail]

1-BENZYL-1H-IMIDAZOLE-5-CARBOXALDEHYDE(85102-99-4)1HNMR
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