基本情報
- 標準SMILES
NC(=O)NNC(N)=O- InChIKey
ULUZGMIUTMRARO-UHFFFAOYSA-N- 分子式
- C2H6N4O2
- 平均分子量
- 118.1 g/mol
- 単同位体質量
- 118.04907543
概要
Biurea is a white powder. (NTP, 1992)
名称と識別子
- 優先名称
- 1,2-Hydrazinedicarboxamide
- IUPAC
- (carbamoylamino)urea
- 現地名
- ビ尿素
- 英語名
- Biurea
- 分子式
- C2H6N4O2
- 分子量
- 118.09
名称と別名
名称をさらに表示
データベース識別子
- CAS
110-21-4- PubChem CID
- 8039
- DTXSID
DTXSID6024628- ChEMBL
CHEMBL3188383- UNII
- POJ4UOY01H
- EC Number
- 203-747-2
- Nikkaji
- J2.447C
物性
構造計算による物性
- XLogP
- -2.1
- 極性表面積
- 110 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 96.6
実験および物理化学的性質
Solubility
less than 1 mg/mL at 66 °F (NTP, 1992)
In water, 238 mg/L at 16 °C
Melting Point
471 to 473 °F (NTP, 1992)
258 °C
Vapor Pressure
0.0000595 [mmHg]
5.9X10-5 mm Hg at 25 °C /Estimated/
Physical Description
Biurea is a white powder. (NTP, 1992)
White solid; [CAMEO]
物理化学的性質
- 融点
- 247 · 247-250 °C
- 沸点
- 220.6 °C · 220.6°C (rough estimate)
- 比重(密度)
- 1.604 · 1.6040
- 屈折率
- 1.4462 · 1.4462 (estimate)
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- 硫酸(少量、加温)
- 酸解離定数(Pka)
- 10.06 · 10.06±0.43(Predicted)
- 外見
- 個体
- 色
- ホワイトからオフホワイト
- CAS データベース
- 110 · 110-21-4(CAS DataBase Reference)
- EPAの化学物質情報
- Biurea (110-21-4)
化学的性質
化学的特性WHITE POWDER
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 88.1% (37 of 42) of all reports.
Warning
H315 (11.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Reactivity Profile
BIUREA is chemically classified as an amide. Amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).
安全と保護具
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then dampen the solid spill material with toluene, then transfer the dampened material to a suitable container. Use absorbent paper dampened with toluene to pick up any remaining material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent-wash all contaminated surfaces with toluene followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Disposal Methods
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.
Preventive Measures
Inhalation of salt dusts should be avoided. /Hydrazine & derivatives/
Engineering controls, such as process enclosure or local exhaust ventilation, shall be used when needed to keep concentrations of airborne hydrazines within acceptable levels. Ventilation systems shall be designed to prevent accumulation or recirculation of airborne hydrazines in the workplace environment and to remove hydrazines from the breathing zone of workers. /Hydrazines/
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
... Vinyl coated hand protection, natural or reclaimed rubber protection, rubber aprons, and plastic eye and face protection ... used when working with small quantities. Where possibility of gross splashing exists, full protective clothing made of rubber, neoprene or vinyl-coated materials should be worn. For respiratory protection in situations where recommended tolerance limits are ... exceeded, respiratory protective equipment ... must be used. /Hydrazine and derivatives/
毒性情報
Non-Human Toxicity Excerpts
/LABORATORY ANIMALS: Acute Exposure/ /1,2-hydrazinedicarbonamide/ was not irritating to rabbit skin or eyes.
/LABORATORY ANIMALS: Acute Exposure/ /Sprague-Dawley rats given ip injections of 20 or 200 mg/kg body weight per day for one week displayed/ no change in thyroid function. /No information for controls provided/
/LABORATORY ANIMALS: Chronic Exposure or Carcinogenicity/ Dogs were fed doses of 50 or 100 g/kg diet 1,1-hydrazoformamide daily for 11 months (approximately 1250 or 2500 mg/kg bw/day). Reduction of the highest dose to 50 g/kg diet after 5 or 7.5 months. Results were increased mortality, renal and bladder calculi, chronic pyelonephritis and pyelitis in both dose groups.
/LABORATORY ANIMALS: Chronic Exposure or Carcinogenicity/ /Dogs orally exposed to daily doses of 750, 2370 or 7500 ppm in bread as diet for a period of two years/ exhibited no signs of increased tumor incidence. /No information for controls provided./
/GENOTOXICITY/ Negative in the following tests: cytogenetic assay and sister chromatid exchange assay in Chinese hamster ovary cells, and Ames test.
Populations at Special Risk
Biological half-lives were significantly different among the three acetylation phenotypes (analysis of variance, P < 0.05): 3.94+/-1.70 hours for slow acetylators, 2.25+/-0.37 hours for intermediate acetylators, and 1.86+/-0.67 hours for rapid acetylators. /Hydrazine/
安全データ
- tsca
- TSCA listed
- 毒性
- LD50 oral in rat: > 2gm/kg
- hs_code
- 29280000
- risk_code
- 36/37/38
- 化審法
- (2)-1748
- safety_code
- 24/25
- hazard_class
- IRRITANT
- 有毒物質データの
- 110-21-4(Hazardous Substances Data)
化学と産業
薬理情報
Absorption, Distribution and Excretion
/In animals/ the compound is mainly excreted in the feces and to a smaller part in the urine after oral dosing.
Two-week repeated and 13-week subchronic inhalation exposures of F344/N rats and B6C3F1 mice to /azodicarbonamide/ (ADA) were conducted ... . The mean air concentrations of ADA in the 2-week studies were 207, 102, 52, 9.4, or 2.0 mg/cu m. ... In the 13-week subchronic study, the mean air concentrations of ADA were 204, 100, or 50 mg/cu m. ... Lung tissue from male rats was analyzed for ADA and biurea, the major metabolite of ADA. No ADA was detected. The amount of biurea in the lungs increased nonlinearly with increasing exposure concentration, suggesting that clearance was somewhat impaired with repeated exposures. However, even at the highest exposure concentration, this amount of biurea was less than 1% of the estimated total ADA deposited over the exposure period. /Azodicarbonamide/
用途と製造
Uses
Used as a chemical intermediate in the production of azodicarbonamide (a high volume chemical blowing agent); [HSDB]
Used as a chemical intermediate in the production of azodicarbonamide, a large volume chemical blowing agent.
Methods of Manufacturing
The unsubstituted parent semicarbazide is best made from urea and hydrazine; using excess urea, hydrazodicarbonamide is formed.
/Hydrazodicarboxamide/ is made by refluxing an aqueous solution of urea and hydrazine.
応用分野
使用Hydrazine-1,2-dicarboxamide is a useful compound in the process of producing protected anode active material particles for rechargeable lithium batteries.
一般的な説明White powder.
調製方法
純化方法Crystallise the diamide from water, wash the crystals with EtOH then Et2O and dry in vacuum over P2O5. It does not decompose on drying at 110o /48hours. Its solubility in H2O is 1% at 0o. [Andrieth & Mohr Inorg Synth IV 26 1953, Beilstein 3 H 116, 3 I 56, 3 III 229.]
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