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25629-50-9

Name 3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride
CAS 25629-50-9
EINECS(EC#) 247-137-4
Molecular Formula C11H7Cl2NO2
MDL Number MFCD00020811
Molecular Weight 256.08
MOL File 25629-50-9.mol

Chemical Properties

Appearance Cream solid
Melting point  41-42°C
Boiling point  381.7±42.0 °C(Predicted)
density  1.381±0.06 g/cm3(Predicted)
vapor pressure  0.001Pa at 25℃
form  crystalline solid
pka -5.80±0.50(Predicted)
color  White to off-white
Water Solubility  128.2mg/L at 25℃
Sensitive  Moisture Sensitive
BRN  791931
InChI InChI=1S/C11H7Cl2NO2/c1-6-9(11(13)15)10(14-16-6)7-4-2-3-5-8(7)12/h2-5H,1H3
InChIKey BPDBLWKFVXHGFT-UHFFFAOYSA-N
SMILES C(Cl)(C1=C(C)ON=C1C1=CC=CC=C1Cl)=O
LogP 2.61 at 25℃
CAS DataBase Reference 25629-50-9(CAS DataBase Reference)
EPA Substance Registry System 25629-50-9(EPA Substance)

Safety Data

Risk Statements 
R34:Causes burns.
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 .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
RIDADR  3261
TSCA  Yes
HazardClass  8
PackingGroup  II
HS Code  2934999090

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