Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >Organic Intermediate>Pharmaceutical Intermediates>Custom Manufacturing
Ferrocenecarboxylic acid structure
Ferrocenecarboxylic acid structure

Ferrocenecarboxylic acid

CAS No.: 1271-42-7
Molecular Weight:230.0409
Modify Date.: 2022-11-05 10:41
Introduction: Ferrocenecarboxylic acid is used to esterify complex mixtures of phenols and alcohols for analysis by GCMS. View more+
1. Names and Identifiers
1.1 Name
Ferrocenecarboxylic acid
1.2 Synonyms

(Carboxycyclopentadienyl)cyclopentadienyliron (CARBOXYCYCLOPENTADIENYL)-CYCLOPENTADIENYLIRON CARBOXYFERROCENE EINECS 215-040-6 Ferocene monocarboxylic acid FERROCENE CARBOXYLIC ACID FERROCENE MONOCARBOXYLIC ACID FERROCENE, CARBOXY- FERROCENE,CARBOXY ferrocenemonocarboxylic acid FERROENECARBOXYLIC ACID Ferroncene Monocarboxylic Acid MFCD00001430

View all
1.3 CAS No.
1271-42-7
1.4 CID
102080
1.5 EINECS(EC#)
215-040-6
1.6 Molecular Formula
C11H10FeO2 (isomer)
1.7 Inchi
InChI=1S/C6H5O2.C5H5.Fe/c7-6(8)5-3-1-2-4-5;1-2-4-5-3-1;/h1-3,5H,(H,7,8);1-3H,4H2;/q2*-1;+2
1.8 InChIkey
BXVLTNLCEUMARW-UHFFFAOYSA-N
1.9 Canonical Smiles
C1C=CC=[C-]1.C1=CC([C-]=C1)C(=O)O.[Fe+2]
1.10 Isomers Smiles
C1C=CC=[C-]1.C1=CC([C-]=C1)C(=O)O.[Fe+2]
2. Properties
2.1 Melting point
210℃
2.1 Boiling point
236.7°C at 760 mmHg
2.1 Flash Point
104.2°C
2.1 Precise Quality
230.00300
2.1 PSA
37.30000
2.1 logP
1.49530
2.1 Appearance
Yellow Powder
2.2 Storage
Ambient temperatures.
2.3 Chemical Properties
dark brown powder
2.4 Color/Form
yellow
2.5 Water Solubility
Insoluble in water.
2.6 Stability
Stable. Incompatible with strong oxidizing agents.
2.7 StorageTemp
Inert atmosphere,Room Temperature
3. Use and Manufacturing
3.1 Purification Methods
It crystallises as yellow crystals from pet ether (m 225-230odec), CHCl3 (m 208.5odec), toluene/pet ether (m 195-205odec), or aqueous ethanol. [Matsue et al. J Am Chem Soc 107 3411 1985.] The acid chloride m 49o crystallises from pentane, and has max at 458nm [Lau & Hart J Org Chem 24 280 1959]. The methyl ester crystallises from aqueous MeOH with m 70-71o. The anhydride has m 143-145o when recrystallised from pet ether [Acton & Silverstein J Org Chem 24 1487 1959]. The amide has m 168-170o when crystallised from CHCl3/Et2O or m 167-169o when crystallised from *C6H6/MeOH. [Arimoto & Haven J Am Chem Soc 77 6295 1955, Benkeser et al. J Am Chem Soc 76 4025 1954.] [Beilstein 16 IV 1807.] Ferrocenecarboxylic acidSupplier
3.2 Usage
Ferrocenecarboxylic acid is used to esterify complex mixtures of phenols and alcohols for analysis by GCMS.
4. Safety and Handling
4.1 Hazard Codes
Xn
4.1 Risk Statements
R22;R36/37/38
4.1 Safety Statements
S26;S37/39
4.1 WGK Germany
3
4.1 Specification

  Ferrocenecarboxylic acid , with CAS Registry Number 1271-42-7, its Synonyms are Carboxyferrocene ; Ferrocene, carboxy- (9CI) ; Ferroncene monocarboxylic acid . And Its IUPAC Name is Cyclopenta-1,3-diene; cyclopenta-2,4-diene-1-carboxylic acid; iron(2+) , and its Molecular Formula is C11H10FeO2. Besides, Ferrocenecarboxylic acid is dark brown powder and storage in Flammables area. It is stable and incompatible with strong oxidizing agents. In addition, Ferrocenecarboxylic acid belongs to Product Categories such as Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Ferrocene series; Piperazine derivates. 

  Studies show that Polyacrylamide is used to fix catalase, uricase and Ferrocenecarboxylic acid on a working electrode, and Ferrocenecarboxylic acid modify carbon paste electrode (FCMCPE) in aqueous media using cyclic voltammetry and double step potential chronoamperometry. Furthermore, Ferrocenecarboxylic acid is irritating to eyes, respiratory system and skin, so we should wear suitable gloves and eye/face protection in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In addition to this, it is also harmful if swallowed.

View all
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

9. Other Information
9.0 Chemical Properties
dark brown powder
9.1 Uses
Ferrocenecarboxylic acid is used to esterify complex mixtures of phenols and alcohols for analysis by GCMS.
9.2 Purification Methods
It crystallises as yellow crystals from pet ether (m 225-230odec), CHCl3 (m 208.5odec), toluene/pet ether (m 195-205odec), or aqueous ethanol. [Matsue et al. J Am Chem Soc 107 3411 1985.] The acid chloride m 49o crystallises from pentane, and has max at 458nm [Lau & Hart J Org Chem 24 280 1959]. The methyl ester crystallises from aqueous MeOH with m 70-71o. The anhydride has m 143-145o when recrystallised from pet ether [Acton & Silverstein J Org Chem 24 1487 1959]. The amide has m 168-170o when crystallised from CHCl3/Et2O or m 167-169o when crystallised from *C6H6/MeOH. [Arimoto & Haven J Am Chem Soc 77 6295 1955, Benkeser et al. J Am Chem Soc 76 4025 1954.] [Beilstein 16 IV 1807.]
9.3 Usage
Ferrocenecarboxylic acid is used to esterify complex mixtures of phenols and alcohols for analysis by GCMS. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff.
9.4 Purification Methods
It crystallises as yellow crystals from pet ether (m 225-230odec), CHCl3 (m 208.5odec), toluene/pet ether (m 195-205odec), or aqueous ethanol. [Matsue et al. J Am Chem Soc 107 3411 1985.] The acid chloride m 49o crystallises from pentane, and has max at 458nm [Lau & Hart J Org Chem 24 280 1959]. The methyl ester crystallises from aqueous MeOH with m 70-71o. The anhydride has m 143-145o when recrystallised from pet ether [Acton & Silverstein J Org Chem 24 1487 1959]. The amide has m 168-170o when crystallised from CHCl3/Et2O or m 167-169o when crystallised from *C6H6/MeOH. [Arimoto & Haven J Am Chem Soc 77 6295 1955, Benkeser et al. J Am Chem Soc 76 4025 1954.] [Beilstein 16 IV 1807.]
10. Computational chemical data
  • Molecular Weight: 230.0409g/mol
  • Molecular Formula: C11H10FeO2
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 230.003015
  • Monoisotopic Mass: 230.003015
  • Complexity: 288
  • Rotatable Bond Count: 1
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Topological Polar Surface Area: 37.3
  • Heavy Atom Count: 14
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 3
  • CACTVS Substructure Key Fingerprint: AAADccBwMAAAAAAgAAAAAAAAAAAAAQIAAAAAAAAAAAAAAAAAAAAAGgAACAAADQCAgAAACAAAAgCIACDSCAAAAAAgAAAICAEAAAgIAAAAAQAAQAAAQAAIgAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
11. Question & Answer
12. Recommended Suppliers
Global160SuppliersView all >>
  • Products:API,fine chemical&its intermediates,biological chemistry
  • Tel:0086-27-59207850
  • Email:info@fortunachem.com
Factory supply Ferrocenecarboxylic acid CAS 1271-42-7 with good quality
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/kg
  • Time: 2023/09/21
Inquire
  • Products:chemicals, pharmaceutical intermediates,
  • Tel:86-86-13315469701
  • Email:sales04@cn-js.cn
High purity low price Ferrocenecarboxylic acid CAS 1271-42-7
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/kg
  • Time: 2023/09/21
Inquire
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:breeduan@crovellbio.com
Factory directly supply ferrocenecarboxylic acid Cas 1271-42-7 from China
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/kilogram
  • Time: 2023/09/20
Inquire
  • Products:pmk powder ;pmk oil ;bmk powder ;bmk oil ;Protonitazene hcl ; Bromazolam ; Metonitazene; 2-Bromo-4'-methylpropiophenone ;
  • Tel:+86-181-32213264
  • Email:anna@chbbest.com
Factory Direct Sale ferrocenecarboxylic acid cas 1271-42-7
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 23 USD/kg
  • Time: 2023/09/20
Inquire
  • Products:Chemical industry
  • Tel:86-26-6552220
  • Email:xinshengkeji@xsmaterial.com
Factory supply Ferrocenecarboxylic acid CAS 1271-42-7
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/kg
  • Time: 2023/08/04
Inquire
13. Realated Product Infomation