Product Name

  • Name

    FERROCENEBORONIC ACID

  • EINECS 235-272-1
  • CAS No. 12152-94-2
  • Article Data2
  • CAS DataBase
  • Density
  • Solubility
  • Melting Point 145-150 °C (dec.)(lit.)
  • Formula C10H11BFeO2
  • Boiling Point 267.1 °C at 760 mmHg
  • Molecular Weight 273.672
  • Flash Point 115.3 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 12152-94-2 (FERROCENEBORONIC ACID)
  • Hazard Symbols IrritantXi
  • Synonyms Ferroceneboronicacid (8CI);Iron, (boronocyclopentadienyl)cyclopentadienyl- (6CI,7CI);Cyclopentadieneboronic acid, cyclopentadienyliron deriv.;Ferrocenylboronicacid;NSC 119337;
  • PSA 40.46000
  • LogP 0.55620

Ferrocenemetaboric acid Specification

This chemical is called Ferrocenemetaboric acid, and its CAS registry number is 12152-94-2. With the molecular formula of C10H11BFeO2, its molecular weight is 229.85. Additionally, its product categories are Electrochemical Detection (HPLC Labeling Reagents); Analytical Chemistry; B (Classes of Boron Compounds); Boronic Acid, etc.

Other characteristics of the Ferrocenemetaboric acid can be summarised as followings: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.08; (4)ACD/LogD (pH 7.4): 1.08; (5)ACD/BCF (pH 5.5): 3.91; (6)ACD/BCF (pH 7.4): 3.85; (7)ACD/KOC (pH 5.5): 92.34; (8)ACD/KOC (pH 7.4): 90.95; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å2; (13)Flash Point: 115.3 °C; (14)Enthalpy of Vaporization: 58.65 kJ/mol; (15)Boiling Point: 267.1 °C at 760 mmHg; (16)Vapour Pressure: 0.00113 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.InChI: InChI=1/C5H6BO2.C5H5.Fe/c7-6(8)5-3-1-2-4-5;1-2-4-5-3-1;/h1-4,7-8H;1-5H;/rC10H11BFeO2/c13-11(14)9-6-3-7-10(9)12-8-4-1-2-5-8/h1-8,10,13-14H
2.Smiles: C=1(B(O)O)[C@@H]([Fe]C2C=CC=C2)C=CC1

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