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| CAS No.: | 1287-16-7 | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| Name: | FERROCENEACETIC ACID | ||||||||
| Article Data: | 17 | ||||||||
| Molecular Structure: | |||||||||
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| Formula: | C12H12 Fe O2 | ||||||||
| Molecular Weight: | 244.073 | ||||||||
| Synonyms: | Ferroceneaceticacid (8CI); Iron, [(carboxymethyl)cyclopentadienyl]cyclopentadienyl- (6CI,7CI);Cyclopentadieneacetic acid, cyclopentadienyliron deriv.; Ferrocenylacetic acid;NSC 128978 | ||||||||
| Melting Point: |
158-160 °C(lit.) |
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| Appearance: | gold powder | ||||||||
| Hazard Symbols: |
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| Risk Codes: | 36/37/38-22 | ||||||||
| Safety: |
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| PSA: | 37.30000 | ||||||||
| LogP: | 1.88540 | ||||||||
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Chemistry
Molecular Structure of Ferroceneacetic acid (CAS No.1287-16-7):
Molecular Formula: C12H12FeO2
Molecular Weight: 244.0675
CAS No: 1287-16-7
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 37.3 Å2
Systematic Name: [2-(Carboxymethyl)cyclopenta-2,4-dien-1-yl]-cyclopenta-2,4-dien-1-yl-iron
InChI: InChI=1/C7H7O2.C5H5.Fe/c8-7(9)5-6-3-1-2-4-6;1-2-4-5-3-1;/h1-4H,5H2,(H,8,9);1-5H;/rC12H12FeO2/c14-12(15)8-9-4-3-7-11(9)13-10-5-1-2-6-10/h1-7,10-11H,8H2,(H,14,15)
InChIKey: DLJGQTUEZOSNKQ-BNENKNMBAQ
Std. InChI: InChI=1S/C7H7O2.C5H5.Fe/c8-7(9)5-6-3-1-2-4-6;1-2-4-5-3-1;/h1-4H,5H2,(H,8,9);1-5H;
Std. InChIKey: DLJGQTUEZOSNKQ-UHFFFAOYSA-N
Product Categories: Acetics acid and esters;Analytical Chemistry;Classes of Metal Compounds;Electrochemical Detection (HPLC Labeling Reagents);Fe (Iron) Compounds;Ferrocenes;HPLC Labeling Reagents;Metallocenes;Transition Metal Compounds;Catalysis and Inorganic Chemistry;Chemical Synthesis
Safety Profile
Hazard Codes:
Xn
Risk Statements:36/37/38-22
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements:37/39-26
S37/39:Wear suitable gloves and eye/face protection.
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany:3
Specification
Ferroceneacetic acid (CAS No.1287-16-7), its synonyms are (2-Hydroxy-2-oxoethyl)ferrocene ; Ferrocene, (2-hydroxy-2-oxoethyl)- .