Azodicarbonamide
- Iupac Name：(E)-carbamoyliminourea
- CAS No.: 123-77-3
- Molecular Weight：116.08
- Modify Date.: 2023-04-06 19:38
- Introduction: Azodicarbonamide is a synthetic chemical that exists at ambient temperature as a yellow-orange crystalline solid. Azodicarbonamide is mainly used as a blowing agent in the rubber and plastics industries in the expansion of a wide range of polymers, including polyvinyl chloride, polyolefins, and natural/synthetic rubbers. Azodicarbonamide is also used as a food additive, such as an aging and bleaching ingredient in cereal flour and as a dough conditioner in bread baking.
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1. Names and Identifiers
- 1.1 Name
- Azodicarbonamide
- 1.2 Synonyms
(2E)-1,4-Diformyl-2-tetraazene (2E)-2-Tetraazene-1,4-dicarboxamide (E)-carbamoyliminourea 1,1'-Azobiscarbamide 1,4-Diformyltetraaz-2-ene 2-tetrazene, 1,4-diformyl- 2-Tetrazene, 1,4-diformyl-, (2E)- 2-tetrazene-1,4-dicarboxamide 2-Tetrazene-1,4-dicarboxamide, (2E)- AZODICARBAMIDE AZODIFORMAMIDE Carbamoyliminourea Diazene-1,2-dicarboxamide EINECS 204-650-8 MFCD00007958 Tetraaz-2-ene-1,4-dicarboxamide
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- 1.3 CAS No.
- 123-77-3
- 1.4 CID
- 5462814
- 1.5 EINECS(EC#)
- 204-650-8
- 1.6 Molecular Formula
- C2H4N4O2 (isomer)
- 1.7 Inchi
- InChI=1S/C2H4N4O2/c3-1(7)5-6-2(4)8/h(H2,3,7)(H2,4,8)/b6-5+
- 1.8 InChIkey
- XOZUGNYVDXMRKW-AATRIKPKSA-N
- 1.9 Canonical Smiles
- C(=O)(N)N=NC(=O)N
- 1.10 Isomers Smiles
- C(=O)(N)/N=N/C(=O)N
2. Properties
- 2.1 Density
- 1.65
- 2.1 Melting point
- 220-225℃ (dec.)
- 2.1 Boiling point
- 437° F (decomposes) (NTP, 1992)
- 2.1 Refractive index
- 1.762
- 2.1 Flash Point
- 205° F (NTP, 1992)
- 2.1 Precise Quality
- 116.03300
- 2.1 PSA
- 110.90000
- 2.1 logP
- 0.99660
- 2.1 Solubility
- water: soluble0.033g/L at 20°C
- 2.2 AnalyticLaboratory Methods
- Azodicarbonamide; is determined in air with increased sensitivity by treating the sample with alkaline Nessler reagent; at room temperature, followed by spectrophotometric determination.
- 2.3 Appearance
- orange crystalline powder
- 2.4 Chemical Properties
- orange crystalline powder
- 2.5 Color/Form
- Orange-red crystals
Yellow powder
Pale yellow crystalline
- 2.6 Decomposition
- When heated to decomposition it emits toxic fumes of /nitrogen oxides/.
- 2.7 Physical
- AZODICARBONAMIDE; is a yellow to orange powder. Insoluble in water; and common solvents. Soluble in dimethyl sulfoxide;. Nontoxic.
- 2.8 pKa
- 14.45±0.50(Predicted)
- 2.9 Water Solubility
- SOLUBLE IN HOT WATER
- 2.10 Spectral Properties
- MASS: 76451 (NIST/EPA/MSDC Mass Spectral Database, 1990 version)
IR: 6377 (Coblentz Society Spectral Collection)
UV: 8466 (Sadtler Research Laboratories Spectral Collection)
- 2.11 Stability
- Highly flammable. Incompatible with strong oxidizing agents, strong acids, strong bases, heavy metal salts.
- 2.12 StorageTemp
- Flammables area
3. Use and Manufacturing
- 3.1 General Description
- A yellow to orange powder. Insoluble in water and common solvents. Soluble in dimethyl sulfoxide. Nontoxic.
- 3.2 GHS Classification
- Signal: Danger
GHS Hazard Statements
H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
Precautionary Statement Codes
P261, P285, P304+P341, P342+P311, and P501
- 3.3 Methods of Manufacturing
- ... Readily produced from urea; and hydrazine;.
- 3.4 Usage
- Azodicarboxamide is used as an additive to wheat flour breads and dough to improve the physical properties of the dough and the baking performance. It is also used to optimize the levels of oxidant/reducing agents in the baking of wheat flour.
4. Safety and Handling
- 4.1 Symbol
- GHS08
- 4.1 Hazard Codes
- Xn
- 4.1 Signal Word
- Danger
- 4.1 Risk Statements
- R42;R44
- 4.1 Safety Statements
- S22;S24;S37
- 4.1 Exposure Standards and Regulations
- The food additive azodicarbonamide may be safely used in food in accordance with the following prescribed conditions: (a) It is used or intended for use: (1) As an aging and bleaching ingredient in cereal flour in an amount not to exceed 2.05 grams per 100 pounds of flour (0.0045 percent; 45 parts per million). (2) As a dough conditioner in bread baking in a total amount not to exceed 0.0045 percent (45 parts per million) by weight of the flour used, including any quantity of azodicarbonamide added to flour in accordance with paragraph (a)(1) of this section. (b) To assure safe use of the additive: (1) The label and labeling of the additive and any intermediate premix prepared therefrom shall bear, in addition to the other information required by the Act, the following: (i) The name of the additive. (ii) A statement of the concentration or the strength of the additive in any intermediate premixes. (2) The label or labeling of the food additive shall also bear adequate directions for use.
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- 4.2 Packing Group
- II
- 4.2 Octanol/Water Partition Coefficient
- log Kow = -1.7
- 4.3 Fire Hazard
- Self-decomposition or self-ignition may be triggered by heat, chemical reaction, friction or impact. May be ignited by heat, sparks or flames. Some may decompose explosively when heated or involved in a fire. May burn violently. Decomposition may be self-accelerating and produce large amounts of gases. Vapors or dust may form explosive mixtures with air.
- 4.4 Hazard Class
- 4.1
- 4.4 Hazard Declaration
- H334
- 4.4 Cleanup Methods
- Sweep spilled substance into sealable containers; if appropriate, moisten first to prevent dusting. Carefully collect remainder, then remove to safe place.
- 4.5 DisposalMethods
- SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
- 4.6 RIDADR
- UN 3242
- 4.6 Fire Fighting Procedures
- Use foam or powder. /from table/
- 4.7 FirePotential
- Flammable
- 4.8 Safety Profile
- Flammable solid. Whenheated to decomposition it emits toxicfumes of NOx. Azodicarbonamide Preparation Products And Raw materials Raw materials
- 4.9 Caution Statement
- P261-P284-P304 + P340-P342 + P311
- 4.9 WGK Germany
- 1
- 4.9 RTECS
- LQ1040000
- 4.9 Protective Equipment and Clothing
- The substance irritates the eyes and the respiratory tract. Inhalation of dust may cause asthmatic reactions.
As azodicarbonamide is a skin sensitizer, where skin contact can occur, there may be a risk of developing allergic dermatitis if suitable personal protective equipment is not used.
- 4.10 Skin, Eye, and Respiratory Irritations
- The substance irritates the eyes and the respiratory tract. Inhalation of dust may cause asthmatic reactions.
As azodicarbonamide is a skin sensitizer, where skin contact can occur, there may be a risk of developing allergic dermatitis if suitable personal protective equipment is not used.
- 4.11 Safety
-
Hazard Codes:?
Xn
Risk Statements: 42-44?
R42: May cause sensitization by inhalation
R44: Risk of explosion if heated under confinement
Safety Statements: 22-24-37?
S22: Do not breathe dust
S24: Avoid contact with skin
S37: Wear suitable gloves
RIDADR: UN 3242 4.1/PG 2
WGK Germany: 1
RTECS: LQ1040000
HazardClass: 4.1
PackingGroup: II?
?Azodicarbonamide (CAS NO.123-77-3) is a respiratory sensitiser (a possible cause of asthma) and?it should be labeled with "May cause sensitisation by inhalation." Azodicarbonamide (CAS NO.123-77-3) may cause an allergic reaction in those sensitive to other azo compounds (such as food dyes). The consumption of azodicarbonamide may also heighten an allergic reaction to other ingredients in a food. Panera Bread uses Azodicarbonamide in their bagels. It should be noted that during the bread baking process azodicarbonamide is completely decomposed into gasses (carbon dioxide, carbon monoxide, nitrogen, and ammonia) and therefore is never eaten.
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- 4.12 Specification
-
orange crystalline powder
Safety Statements:22-24-37
22:Do not breathe dust
24:Avoid contact with skin
37:Wear suitable gloves
- 4.13 Toxicity
-
| Organism |
Test Type |
Route |
Reported Dose (Normalized Dose) |
Effect |
Source |
| rat |
LD50 |
intraperitoneal |
440mg/kg (440mg/kg) |
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
SKIN AND APPENDAGES (SKIN): HAIR: OTHER |
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 15(Suppl, |
| rat |
LD50 |
oral |
> 6400mg/kg (6400mg/kg) |
? |
American Industrial Hygiene Association Journal. Vol. 48, Pg. 127, 1987.
? |
| rat |
LD50 |
skin |
> 500mg/kg (500mg/kg) |
? |
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 15(Suppl, |
RTECS : LQ1040000 - View all
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Respiratory sensitization, Category 1
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Danger |
| Hazard statement(s) | H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled |
| Precautionary statement(s) | |
| Prevention | P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P284 [In case of inadequate ventilation] wear respiratory protection. |
| Response | P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P342+P311 If experiencing respiratory symptoms: Call a POISON CENTER/doctor/... |
| Storage | none |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
7. Synthesis Route
123-77-3Total: 6 Synthesis Route
9. Computational chemical data
- Molecular Weight: 116.08g/mol
- Molecular Formula: C2H4N4O2
- Compound Is Canonicalized: True
- XLogP3-AA: -1
- Exact Mass: 116.03342538
- Monoisotopic Mass: 116.03342538
- Complexity: 123
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Topological Polar Surface Area: 111
- Heavy Atom Count: 8
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADcYBDsAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABgAYAAAAAAAAAAABAABAAAAKAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
10. Question & Answer
-
Well, it’s safety is quite simply not established ,and in fact it is outlawed in India, prohibited in the European Union and has been illegal in the United Kingdom since 1990, 31 years ago! Only the ..
-
[Background and Overview][1][2][3] Azodicarbonamide is an organic fine chemical product. Its English name is Azodicarbonamide, abbreviated as ADCA or AC. Its chemical structural formula is H2N-CO-N=NC..
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