1-METHYL 2-NITROTEREPHTHALATE Structure

1-METHYL 2-NITROTEREPHTHALATE

Chemical Properties

Melting point 176-178 °C (lit.)
Boiling point 393.4±32.0 °C(Predicted)
Density  1.484±0.06 g/cm3(Predicted)
vapor pressure  0.001Pa at 20℃
storage temp.  Sealed in dry,Room Temperature
pka 3.09±0.10(Predicted)
form  Powder
InChI 1S/C9H7NO6/c1-16-9(13)6-3-2-5(8(11)12)4-7(6)10(14)15/h2-4H,1H3,(H,11,12)
InChIKey MIIADZYPHVTLPR-UHFFFAOYSA-N
SMILES COC(=O)c1ccc(cc1[N+]([O-])=O)C(O)=O
LogP 1.26 at 23℃ and pH6
CAS DataBase Reference 35092-89-8(CAS DataBase Reference)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  1
Hazard Note  Irritant
HS Code  29173990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704:
1
2 0

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