1877-71-0

Name Mono-methyl isophthalate
CAS 1877-71-0
Molecular Formula C9H8O4
MDL Number MFCD00029972
Molecular Weight 180.16
MOL File 1877-71-0.mol
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Chemical Properties

Appearance White to off-white crystalline powder
Melting point  194-196 °C (lit.)
Boiling point  339.3±25.0 °C(Predicted)
density  1.288±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO (Slightly), Methanol (Slightly), Water (Slightly)
form  Crystalline Powder
pka 3.83±0.10(Predicted)
color  White to off-white
Detection Methods T,NMR
BRN  2048750
InChI InChI=1S/C9H8O4/c1-13-9(12)7-4-2-3-6(5-7)8(10)11/h2-5H,1H3,(H,10,11)
InChIKey WMZNGTSLFSJHMZ-UHFFFAOYSA-N
SMILES C1(C(OC)=O)=CC=CC(C(O)=O)=C1
CAS DataBase Reference 1877-71-0(CAS DataBase Reference)

Safety Data

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:Wear suitable protective clothing .
WGK Germany  3
HazardClass  IRRITANT
HS Code  29163990
Storage Class 13 - Non Combustible Solids

Hazard Information

Material Safety Data Sheet(MSDS)

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