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128-97-2

Name 1,4,5,8-Naphthalenetetracarboxylic acid
CAS 128-97-2
EINECS(EC#) 204-924-7
Molecular Formula C14H8O8
MDL Number MFCD00004012
Molecular Weight 304.21
MOL File 128-97-2.mol
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Chemical Properties

Melting point  180 °C
Boiling point  405.05°C (rough estimate)
density  1.5387 (rough estimate)
refractive index  1.5500 (estimate)
Water Solubility  Soluble in water
form  powder to crystal
pka 1.03±0.10(Predicted)
color  White to Light yellow to Light orange
InChI InChI=1S/C14H8O8/c15-11(16)5-1-2-6(12(17)18)10-8(14(21)22)4-3-7(9(5)10)13(19)20/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKey OLAPPGSPBNVTRF-UHFFFAOYSA-N
SMILES C1(C(O)=O)=C2C(C(C(O)=O)=CC=C2C(O)=O)=C(C(O)=O)C=C1
CAS DataBase Reference 128-97-2(CAS DataBase Reference)
NIST Chemistry Reference 1,4,5,8-Naphthalenetetracarboxylic acid(128-97-2)
EPA Substance Registry System 128-97-2(EPA Substance)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36:Irritating to the eyes.
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  2
RTECS  QK3690000
HS Code  29173990
Toxicity
mouse,LD50,oral,3800mg/kg (3800mg/kg),"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 90, 1982.

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