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2-Benzoylbenzoic acid Structure

2-Benzoylbenzoic acid

  • Product Name2-Benzoylbenzoic acid
  • CAS85-52-9
  • CBNumberCB4741530
  • MFC14H10O3
  • MW226.23
  • EINECS201-612-2
  • MDL NumberMFCD00002472
  • MOL File85-52-9.mol

Chemical Properties

Melting point: 126-129 °C (lit.)
Boiling point: 257-265 °C (lit.)
Density  1.2022 (rough estimate)
refractive index  1.5767 (estimate)
Flash point: 257°C
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Crystalline Powder
pka pK1: 3.54 (25°C)
color  Almost white to slightly beige
Water Solubility  284mg/L at 20℃
BRN  1107841
InChI 1S/C14H10O3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9H,(H,16,17)
InChIKey FGTYTUFKXYPTML-UHFFFAOYSA-N
SMILES OC(=O)c1ccccc1C(=O)c2ccccc2
LogP 1.4 at 35℃
CAS DataBase Reference 85-52-9(CAS DataBase Reference)
NIST Chemistry Reference Benzoic acid, 2-benzoyl-(85-52-9)
EPA Substance Registry System Benzoic acid, 2-benzoyl- (85-52-9)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P280g-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
PPE dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36-37/39
WGK Germany  2
RTECS  DG3600000
TSCA  TSCA listed
HS Code  2918300090
Storage Class 11 - Combustible Solids
Hazardous Substances Data 85-52-9(Hazardous Substances Data)
Toxicity LD50 orl-rat: 4600 mg/kg GTPZAB 15(11),52,71
REACH Registrations Active
NFPA 704:
0
2 0

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