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10222-01-2

Basic Information
CAS No.: 10222-01-2
Name: 2,2-Dibromo-2-cyanoacetamide
Article Data: 11
Cas Database
Molecular Structure:
Molecular Structure of 10222-01-2 (2,2-Dibromo-2-cyanoacetamide)
Formula: C3H2Br2N2O
Molecular Weight: 241.87
Synonyms: 2,2-Dibromo-3-nitrilopropionamide;2,2-Dibromo-3-nitrilopropanamide;
EINECS: 233-539-7
Density: 2.451 g/cm3
Melting Point: 122-125 °C(lit.)
Boiling Point: 221.5 °C at 760 mmHg
Flash Point: 87.8 °C
Solubility: N/A
Appearance: Colorless to yellow liquid with a moldy pungent odor
Hazard Symbols: CorrosiveC,HarmfulXn
Risk Codes: 34-43-20/21/22
Safety: 26-36/37/39-45
Transport Information: N/A
PSA: 66.88000
LogP: 1.18168
Synthetic route
1885-23-0

dibromomalononitrile

10222-01-2

2,2-dibromo-3-nitrilopropionamide

Conditions
ConditionsYield
With water; copper(ll) bromide
With hydrogen bromide
With sodium carbonate
109-77-3

malononitrile

10222-01-2

2,2-dibromo-3-nitrilopropionamide

Conditions
ConditionsYield
With water; bromine
107-91-5

cyanoacetic acid amide

10222-01-2

2,2-dibromo-3-nitrilopropionamide

Conditions
ConditionsYield
With water; bromine
hydroxomercurio-cyanacetamide

hydroxomercurio-cyanacetamide

10222-01-2

2,2-dibromo-3-nitrilopropionamide

Conditions
ConditionsYield
With water; bromine
7726-95-6

bromine

carbamoyl-cyano-methylmercury (1+); hydroxide

10222-01-2

2,2-dibromo-3-nitrilopropionamide

107-91-5

cyanoacetic acid amide

A

1113-55-9

2-bromo-2-cyanoacetamide

B

10222-01-2

2,2-dibromo-3-nitrilopropionamide

Conditions
ConditionsYield
With bromine; hydrogen cation In water at 25℃; Kinetics;
10222-01-2

2,2-dibromo-3-nitrilopropionamide

73003-80-2

2,2-dibromomalonamide

Conditions
ConditionsYield
With dihydrogen peroxide; sodium hydroxide In water at 25 - 51℃; pH=3.9 - 6.3; Product distribution / selectivity; Industry scale;95.6%
996-82-7, 34727-00-9, 73177-21-6

sodium diethylmalonate

64-17-5

ethanol

10222-01-2

2,2-dibromo-3-nitrilopropionamide

A

6174-95-4

1,1,2,2-tetracarboethoxy-ethylene

B

632-56-4

tetraethyl ethane-1,1,2,2-tetracarboxylate

64-17-5

ethanol

10222-01-2

2,2-dibromo-3-nitrilopropionamide

62-53-3

aniline

861294-89-5

phenyl-oxalomonoimidic acid-2-amid-1-anilide

10222-01-2

2,2-dibromo-3-nitrilopropionamide

10035-10-6, 12258-64-9

hydrogen bromide

3252-43-5

dibromoacetonitrile

Conditions
ConditionsYield
at 100℃;
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Consensus Reports

Cyanide and its compounds are on the Community Right-To-Know List. EPA FIFRA 1988 pesticide subject to registration or re-registration. Reported in EPA TSCA Inventory.

Specification

The 2,2-Dibromo-2-cyanoacetamide, with the CAS registry number 10222-01-2,is also known as 2,2-Dibromo-2-carbamoylacetonitrile; 2,2-Dibromo-3-nitrilopropionamide; DBNPA. It belongs to the product categories of Biocide;water treatment agent;Aliphatics;Amines. This chemical's molecular formula is C3H2Br2N2O and molecular weight is 241.87. Its EINECS number is 233-539-7.What's more,Its systematic name is 2-cyano-2,2-dibromo-.It is white powder,which is a kind of effective industrial microbicides. And it can  prevent the bacteria and algae in papermaking,pulp, wood, paint. Besises, it is widely used in paper pulp and circulating cooling water system.It should be Store in a tightly closed container,which leave in a cool, dry place.

Physical properties about 2,2-Dibromo-2-cyanoacetamide are:
(1)ACD/LogP:  1.061; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  1.06; (4)ACD/LogD (pH 7.4):  1.06; (5)ACD/BCF (pH 5.5):  3.77; (6)ACD/BCF (pH 7.4):  3.77; (7)ACD/KOC (pH 5.5):  89.95; (8)ACD/KOC (pH 7.4):  89.94; (9)#H bond acceptors:  3; (10)#H bond donors:  2; (11)#Freely Rotating Bonds:  1; (12)Index of Refraction:  1.624; (13)Molar Refractivity:  34.855 cm3; (14)Molar Volume:  98.648 cm3; (15)Surface Tension:  78.1149978637695 dyne/cm; (16)Density:  2.452 g/cm3; (17)Flash Point:  87.759 °C; (18)Enthalpy of Vaporization:  45.794 kJ/mol; (19)Boiling Point:  221.498 °C at 760 mmHg; (20)Vapour Pressure:  0.10700000077486 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:BrC(Br)(C#N)C(=O)N;
(2)Std. InChI:InChI=1S/C3H2Br2N2O/c4-3(5,1-6)2(7)8/h(H2,7,8);
(3)Std. InChIKey:UUIVKBHZENILKB-UHFFFAOYSA-N.

Safety Information of 2,2-Dibromo-2-cyanoacetamide:
The 2,2-Dibromo-2-cyanoacetamide is Harmful by inhalation, in contact with skin and if swallowed. It may cause sensitization by skin contact. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. When you use it,wear suitable protective clothing, gloves and eye/face protection.In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) .

The toxicity data of 2,2-Dibromo-2-cyanoacetamide as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 118mg/kg (118mg/kg)   Pharmacologist. Vol. 15, Pg. 226, 1973.
mouse LD50 intravenous 10mg/kg (10mg/kg)   U.S. Army Armament Research & Development Command, Chemical