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1,1-Cyclobutanedicarboxylic acid Structure

1,1-Cyclobutanedicarboxylic acid

Chemical Properties

Melting point 158 °C(lit.)
Boiling point 222.71°C (rough estimate)
Density  1.3217 (rough estimate)
refractive index  1.5800 (estimate)
storage temp.  Store below +30°C.
solubility  DMSO (Slightly), Methanol (Slightly)
form  Fine Crystalline Powder
pka pK1:3.13 ;pK2:5.88 (25°C)
color  White
BRN  2046031
InChI InChI=1S/C6H8O4/c7-4(8)6(5(9)10)2-1-3-6/h1-3H2,(H,7,8)(H,9,10)
InChIKey CCQPAEQGAVNNIA-UHFFFAOYSA-N
SMILES C1(C(O)=O)(C(O)=O)CCC1
CAS DataBase Reference 5445-51-2(CAS DataBase Reference)
FDA UNII PV866VZU2U
NIST Chemistry Reference 1,1-Cyclobutanedicarboxylic acid(5445-51-2)
EPA Substance Registry System 1,1-Cyclobutanedicarboxylic acid (5445-51-2)

Safety

Symbol(GHS)
Signal wordDanger
Hazard statements H314
Precautionary statements P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Hazard Codes  C
Risk Statements  34
Safety Statements  26-36/37/39-45-28A
RIDADR  UN 3261 8/PG 2
WGK Germany  3
Hazard Note  Corrosive
TSCA  T
HazardClass  8
PackingGroup  III
HS Code  29172000
NFPA 704:
0
3 0

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