617-12-9

Name CHORISMIC ACID
CAS 617-12-9
Molecular Formula C10H10O6
MDL Number MFCD00135935
Molecular Weight 226.18
MOL File 617-12-9.mol
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Chemical Properties

Melting point  105-108° (dec)
alpha  D21 -274° (c = 0.16 in water)
Boiling point  556.1±50.0 °C(Predicted)
density  1.49±0.1 g/cm3(Predicted)
storage temp.  -20°C
form  powder
pka 3.59±0.11(Predicted)
InChI 1S/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1
InChIKey WTFXTQVDAKGDEY-HTQZYQBOSA-N
SMILES O[C@@H]1C=CC(=C[C@H]1OC(=C)C(O)=O)C(O)=O

Safety Data

Hazard Codes  T
Risk Statements 
Safety Statements 
WGK Germany  3
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Carc. 1B
Eye Irrit. 2
Repr. 2
Skin Irrit. 2
STOT SE 3

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