CAS No.141-01-5,2-Butenedioicacid (2E)-, iron(2+) salt (1:1) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	141-01-5
Name:	2-Butenedioicacid (2E)-, iron(2+) salt (1:1)

Formula:	C₄H₂FeO₄
Molecular Weight:	169.90
Synonyms:	Fumafer;Fumiron;Heferol;Ircon;Iron fumarate (Fe(C4H2O4));Iron(II) fumarate;Orgasal;Toleron;Tolferain;Tolifer;Ferrous Fumarate EP Powder;2-Butenedioicacid (E)-, iron(2+) salt (1:1);Fumaric acid, iron(2+) salt (1:1) (8CI);Cpiron;Erco-Fer;Feostat;Feroton;Ferrone;Ferrotemp;Fersamal;
EINECS:	205-447-7
Density:	2.435 g/cm³
Melting Point:	>280 ºC
Boiling Point:	N/A
Flash Point:	N/A
Solubility:	Soluble in water (0.14 g/100 ml at 25°C).
Appearance:	orange red to reddish-brown powder with no odour and no taste
Hazard Symbols:	N/A
Risk Codes:	36/37/38
Safety:	22-36/37/39
Transport Information:	N/A
PSA:	52.60000
LogP:	-0.44490

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Consensus Reports

Iron is an essential component in the physiological formation of hemoglobin, adequate amounts of which are necessary for effective erythropoiesis and the resultant oxygen transport capacity of the blood. A similar function is provided by iron in myoglobin production. Iron also serves as a cofactor of several essential enzymes, including cytochromes that are involved in electron transport. Iron is necessary for catecholamine metabolism and the proper functioning of neutrophils

Specification

The IUPAC name of Ferrous fumarate is (E)-but-2-enedioate; iron(2+). With the cas register number of 141-01-5, it is a orange red to reddish-brown powder with no odour and no taste. And its product categories are including organic-metal salt; pharmacopoeia (usp); pharmacopoeia a-z; carbonyl compounds; carboxylic acid salts; organic building blocks. This chemical is stable chemicallly.

The characteristics of this chemical are as below: (1)H-Bond Acceptor: 4; (2)Rotatable Bond Count: 0; (3)Exact Mass: 169.930251; (4)MonoIsotopic Mass: 169.930251; (5)Topological Polar Surface Area: 80.3; (6)Heavy Atom Count: 9; (7)Formal Charge: 0; (8)Complexity: 108; (9)Covalently-Bonded Unit Count: 2.

The production method is as following: This chemical is replaced by sodium fumarate with ferrisulphas. Firstly, heat the water till at the boiling point, and add sodium fumarate while stirring, and then add sodium carbonate seperately till the PH value gets 6.5-6.7; Secondly, after well-stirred, filter the chemical and get sodium fumarate solution. Thirdly, add ferrisulphas solution and then have the operation of heating, reflux, cooling and then get the crystal. Lastly, filter cake should be washed with distilled water to comform to required, and then dry to get the Ferrous fumarate, with field of 83%.

The usage of this chemical is as below: Ferrous fumarate could be the food ferrum reinforcer, with the absorbing effect better than inorganic ferrum. It could be used in salt and bonbon, with the usage amount of 1800～3600mg/kg; It could be used in grain with high ferrum and its products, with usage amount of 520~580mg/kg; It could be used in dairy food and baby food, with amount of 180～300mg/kg; It could also be used in frumentum and its products, with the amount of 70～150mg/kg; And its amount in beverage is 30～60mg/kg. When store, you should keep it in cool, dry and well-ventilated room.

You should be cautious while dealing with this chemical: This chemical is irritating to eyes, respiratory system and skin, so you should not breathe dust while using, and remember to wear suitable protective clothing, gloves and eye/face protection .

The following datas could be converted into the molecular structure:
(1)Canonical SMILES: C(=CC(=O)[O-])C(=O)[O-].[Fe+2]
(2)Isomeric SMILES: C(=C/C(=O)[O-])\C(=O)[O-].[Fe+2]
(3)InChI: InChI=1S/C4H4O4.Fe/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,
8);/q;+2/p-2/b2-1+;
(4)InChIKey: PMVSDNDAUGGCCE-TYYBGVCCSA-L

Below are the toxicity information which has been tested:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	480mg/kg (480mg/kg)		American Journal of the Medical Sciences. Vol. 241, Pg. 296, 1961.
mouse	LD50	oral	1570mg/kg (1570mg/kg)		American Journal of the Medical Sciences. Vol. 241, Pg. 296, 1961.
rat	LD50	intraperitoneal	185mg/kg (185mg/kg)		Drugs in Japan Vol. 6, Pg. 683, 1982.
rat	LD50	oral	3850mg/kg (3850mg/kg)		Drugs in Japan Vol. 6, Pg. 683, 1982.
rat	LD50	subcutaneous	500mg/kg (500mg/kg)		Drugs in Japan Vol. 6, Pg. 683, 1982.
women	LDLo	oral	400mg/kg (400mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: NAUSEA OR VOMITING	Human Toxicology. Vol. 7, Pg. 281, 1988.

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