CAS No.497-18-7,Carbohydrazide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	497-18-7
Name:	Carbohydrazide
Article Data:	42

Formula:	CH₆N₄O
Molecular Weight:	90.0848
Synonyms:	1, 3-Diaminourea;Carbonic acid, dihydrazide;Carbazic acid, hydrazide;Carbonothioic dichloride;Urea, N,N-diamino-;Carbonohydrazide;1,3-Diaminomocovina;Hydrazinecarboxamide, N-amino-;1,3-Diaminourea;Semicarbazide, 4-amino-;Urea, 1,3-diamino-;OCarbohydrazide;Hydrazine, carbonylbis-;
EINECS:	207-837-2
Density:	1.341 g/cm³
Melting Point:	150-153 °C(lit.)
Boiling Point:	167.26°C (rough estimate)
Solubility:	soluble in water, insoluble in alcohol, ether, chloroform, benzene
Appearance:	white powder
Hazard Symbols:	Xn,Xi,N
Risk Codes:	5-51/53-36/37/38-20/21/22-43
Safety:	61-36/37/39
Transport Information:	UN 3077
PSA:	93.17000
LogP:	0.21540

Synthetic route

: 616-38-6
carbonic acid dimethyl ester

: 497-18-7
carbonodihydrazide

Conditions

Conditions	Yield
With hydrazine hydrate In methanol; water at 75℃; for 0.000833333h; Solvent;	99%
With hydrazine hydrate In methanol; water at 70 - 75℃; for 3h;	98.5%
With hydrazine hydrate; acetic acid In ethanol for 3h; Reflux;	89.1%

: 105-58-8
Diethyl carbonate

: 497-18-7
carbonodihydrazide

Conditions

Conditions	Yield
With hydrazine hydrate In ethanol; water at 75 - 80℃; for 2h;	98.8%
With hydrazine hydrate Substitution; Heating;	80%
With hydrazine hydrate destilliert langsam den abgespaltenen Alkohol und anschliessend Wasser und nicht umgesetztes Ausgangsmaterial ab;

: 2980-33-8
1H-3,5-dinitropyridine-2-one

A: 2075-46-9
4-nitro-1H-pyrazole

B: 497-18-7
carbonodihydrazide

Conditions

Conditions	Yield
With hydrazine hydrate at 90 - 95℃; for 7h;	A 87% B n/a

: 6332-56-5
3-nitropyridone

A: 288-13-1
NH-pyrazole

B: 497-18-7
carbonodihydrazide

Conditions

Conditions	Yield
With hydrazine hydrate at 90 - 95℃; for 7h;	A 74% B 75%
With hydrazine hydrate at 90 - 95℃; for 7h; Product distribution; also 3,5-dinitropyridone investigated;	A 74% B 75%

: 616-38-6
carbonic acid dimethyl ester

A: 6294-89-9
hydrazinecarboxylic acid methyl ester

B: 497-18-7
carbonodihydrazide

Conditions

Conditions	Yield
With hydrazine hydrate In neat (no solvent) at 80℃; Temperature;	A 53% B 35%

: 3-(2-Oxo-2-phenyl-ethyl)-5-[1-phenyl-meth-(Z)-ylidene]-thiazolidine-2,4-dione

A: 78831-00-2
6-phenyl-4,5-dihydro-1,2,4-triazin-3(2H)-one

B: 497-18-7
carbonodihydrazide

Conditions

Conditions	Yield
With hydrazine hydrate In water; acetic acid for 6h; hydrazinolysis; Heating;	A 45% B n/a

: 102-09-0
bis(phenyl) carbonate

: 497-18-7
carbonodihydrazide

Conditions

Conditions	Yield
With water; hydrazine man saugt das auskrystallisierende Hydrazinphenolat ab und dampft die waessr. Loesung im Vakuum ein;

: 10195-79-6
hydrazonium hydrazincarbonate

: 497-18-7
carbonodihydrazide

Conditions

Conditions	Yield
at 140℃; im geschlossenen Rohr;
at 140℃;
heating at 140°C in a bomb tube;

: 530-62-1
1,1'-carbonyldiimidazole

: 497-18-7
carbonodihydrazide

Conditions

Conditions	Yield
With hydrazine hydrate

: 7647-01-0
hydrogenchloride

: 27048-31-3
benzaldehyde (5-phenyl-[1,3,4]oxadiazol-2-yl)-hydrazone

: 497-18-7
carbonodihydrazide

Raw Materials

616-38-6

105-58-8

530-62-1

Downstream Products

67-51-6

110-21-4

Total:201 Page 1 of 6 1 2 3 4 5 6 Next>>

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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

DOT Classification: Forbidden

Specification

The Carbohydrazide, with the CAS registry number 497-18-7, is also known as 1,3-Diaminourea. It belongs to the product categories of Pharmaceutical Intermediates; Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes; API intermediates; Water Ttreatment Chemicals; Carbonyl Compounds; Hydrazides; Organic Building Blocks. Its EINECS number is 207-837-2. This chemical's molecular formula is CH₆N₄O and molecular weight is 90.08. What's more, its systematic name is Carbonohydrazide. This chemical should be sealed and stored in a ventilated and dry place. Moreover, it should be protected from oxides. It is used as an oxygen scavenger in water treatment for boilers. It is an alternative to the hazardous and potentially carcinogenic hydrazine. Carbohydrazide reacts with oxygen to make water, nitrogen and urea. It is widely used in the production of drugs, herbicides, plant growth regulators, and dyestuffs.

Physical properties of Carbohydrazide are: (1)ACD/LogP: -1.657; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.69; (4)ACD/LogD (pH 7.4): -1.66; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 2.79; (8)ACD/KOC (pH 7.4): 2.99; (9)#H bond acceptors: 5; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 93.17 Å²; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 20.972 cm³; (15)Molar Volume: 67.149 cm³; (16)Polarizability: 8.314×10^-24cm³; (17)Surface Tension: 65.4 dyne/cm; (18)Density: 1.341 g/cm³.

Preparation: this chemical can be prepared by carbonic acid diethyl ester by heating. This reaction will need reagent N₂H₄·H₂O. The yield is about 80%.

Carbohydrazide can be prepared by carbonic acid diethyl ester by heating

Uses of Carbohydrazide: it can be used to produce 1-benzylidene-carbonohydrazide at the temperature of 20 °C. It will need solvent methanol with the reaction time of 24 hours. The yield is about 54%.

Carbohydrazide can be used to produce 1-benzylidene-carbonohydrazide at the temperature of 20 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. It may cause sensitisation by skin contact. This substance is toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. When heating, it may cause an explosion. When using it, you need to wear suitable protective clothing, gloves and eye/face protection. You should avoid releasing it to the environment, and you need to refer to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NN)NN
(2)Std. InChI: InChI=1S/CH6N4O/c2-4-1(6)5-3/h2-3H2,(H2,4,5,6)
(3)Std. InChIKey: XEVRDFDBXJMZFG-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	167mg/kg (167mg/kg)		Journal of Medicinal and Pharmaceutical Chemistry. Vol. 4, Pg. 259, 1961.
mouse	LD50	intravenous	120mg/kg (120mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Journal of Pharmacology and Experimental Therapeutics. Vol. 122, Pg. 110, 1958.
mouse	LD50	subcutaneous	131mg/kg (131mg/kg)		Acta Biologica et Medica Germanica. Vol. 21, Pg. 635, 1968.

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