1955-46-0

Name Methyl 5-nitroisophthalate
CAS 1955-46-0
EINECS(EC#) 217-793-6
Molecular Formula C9H7NO6
MDL Number MFCD00009793
Molecular Weight 225.15
MOL File 1955-46-0.mol
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Chemical Properties

Appearance SLIGHTLY YELLOW FINE CRYSTALLINE POWDER
Melting point  180-182 °C (lit.)
Boiling point  366.65°C (rough estimate)
density  1.5322 (rough estimate)
vapor pressure  0-0Pa at 25℃
refractive index  1.5200 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  9g/L in organic solvents at 20 ℃
form  Fine Crystalline Powder
pka 3.11±0.10(Predicted)
color  Slightly yellow
Water Solubility  insoluble
BRN  1469253
InChI 1S/C9H7NO6/c1-16-9(13)6-2-5(8(11)12)3-7(4-6)10(14)15/h2-4H,1H3,(H,11,12)
InChIKey ZCRNIIJXDRYWDU-UHFFFAOYSA-N
SMILES COC(=O)c1cc(cc(c1)[N+]([O-])=O)C(O)=O
LogP 1.65 at 25℃
CAS DataBase Reference 1955-46-0(CAS DataBase Reference)
EPA Substance Registry System 1955-46-0(EPA Substance)
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Safety Data

Hazard Codes  T+
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R26/27/28:Very Toxic by inhalation, in contact with skin and if swallowed .
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
RIDADR  UN 2811
WGK Germany  3
TSCA  Yes
REACH Registrations Active
HS Code  29173980
Storage Class 13 - Non Combustible Solids

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