1,1'-Diacetylferrocene supplier

Name
1,1'-Diacetylferrocene
EINECS
CAS No. 1273-94-5
Article Data4
CAS DataBase
Density
Solubility Insoluble in wazter
Melting Point 125-127 °C(lit.)
Formula C₁₄H₁₄FeO₂
Boiling Point 166.6oC at 760 mmHg
Molecular Weight 310.947
Flash Point 53.1oC
Transport Information
Appearance dark orange to dark red powder
Safety 36
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols Xn
Synonyms Iron,bis(cyclopentadienyl methyl ketone)- (6CI,7CI);Bis(h5-acetylcyclopentadienyl)iron;DAF;Diacetylferrocene;NSC 16677;NSC 511707;
PSA 34.14000
LogP 2.54930

1,1'-Diacetylferrocene Specification

The cas register number of 1,1'-Diacetylferrocene is 1273-94-5. It also can be called as Bis(acetylcyclopentadienyl)iron and the IUPAC Name about this chemical is 1-cyclopenta-2,4-dien-1-ylideneethanolate; iron. It belongs to the following product categories, such as Industrial/Fine Chemicals, Miscellaneous and so on. This chemical is harmful by inhalation, in contact with skin and if swallowed. When you are using it, wear suitable protective clothing.

Physical properties about 1,1'-Diacetylferrocene are: (1)H-Bond Acceptor: 2; (2)Exact Mass: 270.034322; (3)MonoIsotopic Mass: 270.034322; (4)Topological Polar Surface Area: 46.1; (5)Heavy Atom Count: 17; (6)Formal Charge: -2; (7)Complexity: 159; (8)Covalently-Bonded Unit Count: 3.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)[C]1[CH][CH][CH][CH]1.CC(=O)[C]1[CH][CH][CH][CH]1.[Fe]
(2)InChI: InChI=1/2C7H7O.Fe/c2*1-6(8)7-4-2-3-5-7;/h2*2-5H,1H3;
(3)InChIKey: JNBIZDIDVCJECQ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/2C7H7O.Fe/c2*1-6(8)7-4-2-3-5-7;/h2*2-5H,1H3;
(5)Std. InChIKey: JNBIZDIDVCJECQ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mammal (species unspecified)	LDLo	intratracheal	50mg/kg (50mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD KIDNEY, URETER, AND BLADDER: INCONTINENCE	"Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 62, 1999.
mouse	LD50	intraperitoneal	90mg/kg (90mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD KIDNEY, URETER, AND BLADDER: INCONTINENCE	"Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 62, 1999.
mouse	LD50	oral	680mg/kg (680mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD KIDNEY, URETER, AND BLADDER: INCONTINENCE	"Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 62, 1999.
rat	LD50	intraperitoneal	168mg/kg (168mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD KIDNEY, URETER, AND BLADDER: INCONTINENCE	"Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 62, 1999.
rat	LD50	oral	1600mg/kg (1600mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD KIDNEY, URETER, AND BLADDER: INCONTINENCE	"Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 62, 1999.

Product Name

1,1'-Diacetylferrocene

1,1'-Diacetylferrocene Specification

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