83857-96-9

Name 2-Butyl-4-chloro-5-formylimidazole
CAS 83857-96-9
EINECS(EC#) 410-260-0
Molecular Formula C8H11ClN2O
MDL Number MFCD01934396
Molecular Weight 186.64
MOL File 83857-96-9.mol

Chemical Properties

Appearance Yellow Solid
Melting point  97-100 °C(lit.)
Boiling point  384.1±22.0 °C(Predicted)
density  1.240
vapor pressure  0.001Pa at 25℃
storage temp.  Inert atmosphere,2-8°C
solubility  slightly soluble
form  neat
pka 8.87±0.10(Predicted)
color  Pale Yellow to Brown
Water Solubility  slightly soluble
Detection Methods HPLC,NMR
InChI 1S/C8H11ClN2O/c1-2-3-4-7-10-6(5-12)8(9)11-7/h5H,2-4H2,1H3,(H,10,11)
InChIKey JLVIHQCWASNXCK-UHFFFAOYSA-N
SMILES CCCCc1nc(C=O)c(Cl)[nH]1
LogP 2.5 at 25℃ and pH7.1
Surface tension 58.3mN/m at 1.2g/L and 20℃
CAS DataBase Reference 83857-96-9(CAS DataBase Reference)
EPA Substance Registry System 83857-96-9(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
Signal word  Warning
Hazard statements  H317-H411
Precautionary statements  P261-P272-P273-P280-P302+P352-P333+P313
Hazard Codes  Xi,N
Risk Statements 
R43:May cause sensitization by skin contact.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
Safety Statements 
S24:Avoid contact with skin .
S37:Wear suitable gloves .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
RIDADR  UN 3077 9/PG 3
WGK Germany  2
Hazard Note  Irritant
REACH Registrations Active
HazardClass  IRRITANT
PackingGroup  III
HS Code  29339900
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Chronic 2
Skin Sens. 1A

Hazard Information

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