基本情報
- CAS
108-19-0- 標準SMILES
NC(=O)NC(N)=O- InChIKey
OHJMTUPIZMNBFR-UHFFFAOYSA-N- 分子式
- C2H5N3O2
- 平均分子量
- 103.08 g/mol
- 単同位体質量
- 103.03817641
概要
Biuret is a member of the class of condensed ureas that is the compound formed by the condensation of two molecules of urea; the parent compound of the biuret group of compounds. Used as a non-protein nitrogen source in ruminant feed.
名称と識別子
- 優先名称
- Biuret
- IUPAC
- carbamoylurea
- 現地名
- ビュウレット
- 英語名
- Biuret
- 分子式
- C2H5N3O2
- 分子量
- 103.08
名称と別名
Biuret108-19-0CarbamoylureaAllophanamideIMIDODICARBONIC DIAMIDECarbamylureaUreidoformamideAllophanic acid amideDicarbamylamineIsobiuretAllophanimidic acidUrea, (aminocarbonyl)-
名称をさらに表示
ビュウレットアロファンアミドアロファナミドカルバミル尿素ビウレットビウレトイミドジカルボンジアミドウレイドホルムアミドカルバモイル尿素1-カルバモイル尿素ビュウレット [肥料分析用]ビュウレット (約10%トリウレット含む)アロファンアミド (約10%トリウレット含む)UREA RELATED COMPOUND A (ジカルボンイミド酸ジアミド)3-(5'-{8-[5-(4-{ビス[4-(ヘキシルオキシ)フェニル]アミノ}フェニル)チオフェン-2-イル]-6-(2-エチルヘキシル)-5,7-ジオキソ-5H,6H,7H-[1,2,5]チアジアゾロ[3,4-f]イソインドール-4-イル}-[2,2'-ビチオフェン]-5-イル)-2-シアノプロパ-2-エン酸2-シアノ-3-[5′-[5,7-ジオキソ-6-(2-エチルヘキシル)-8-[5-[4-[ビス[4-(ヘキシルオキシ)フェニル]アミノ]フェニル]-2-チエニル]-6,7-ジヒドロ-5H-ピロロ[3,4-f][2,1,3]ベンゾチアジアゾール-4-イル]-2,2′-ビチオフェン-5-イル]アクリル酸BIURET REAGENTDicarbonimidic diamideiuretAllophamicacidamideL-101biureBiuretGr
Caswell No. 159ADTXSID202678389LJ369D1HNSC-8020DTXCID606783CHEBI:18138RefChem:120563203-559-0
データベース識別子
- CAS
108-19-0- PubChem CID
- 7913
- DTXSID
DTXSID2026783- ChEMBL
CHEMBL1889026- ChEBI
CHEBI:18138- UNII
- 89LJ369D1H
- EC Number
- 203-559-0
- Nikkaji
- J2.416C
物性
構造計算による物性
- XLogP
- -0.7
- 極性表面積
- 98.2 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 87.1
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds
DrugsPharmaceuticals -> Metabolite of Metformin
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
OdorODORLESS
Density1.467 @ -5 °C/4 °C
Color/Form
ELONGATED PLATES FROM ETHANOL
NEEDLES FROM WATER CRYSTALLIZING WITH 1 MOLECULE OF WATER PER MOLECULE OF COMPD
WHITE NEEDLES
SolubilitySOL IN 100 G WATER: 2.01 G @ 25 °C, 7 G @ 50 °C, 20 G @ 75 °C, 53.5 G @ 105.5 °C; FREELY SOL IN ALCOHOL; VERY SLIGHTLY SOL IN ETHER
Melting Point190 °C, DECOMP
Physical Description
CBI
White hygroscopic solid; [HSDB] White odorless powder; [Alfa Aesar MSDS]
Other Experimental Properties
HYGROSCOPIC; PYROLYSIS @ HIGH TEMP (GREATER THAN 193 °C) YIELDS MELAMINE
WHEN CRYSTALLIZED FROM WATER, 5C2-H5-N3-O2.4H20 IS FORMED, WHICH BECOMES ANHYDROUS @ 110 °C, DECOMP @ ABOUT 193 °C
AQ SOLN TREATED WITH CUPRIC SULFATE & SODIUM HYDROXIDE GIVE REDDISH-VIOLET COLOR
物理化学的性質
- 融点
- 185 · 185-190 °C (dec.) (lit.)
- 沸点
- 100 °C · 100 °C
- 比重(密度)
- 1.01 g/mL · 1.01 g/mL at 20 °C
- 屈折率
- 1.4264 · 1.4264 (estimate)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- DMSO（わずかに）、メタノール（わずかに、加熱、超音波処理）
- 酸解離定数(Pka)
- 10.17 · 10.17±0.46(Predicted)
- 外見
- 液体
- 色
- 白い
- 臭い (Odor)
- 無臭
- 水溶解度
- 2 g/100mL · 2g/100mL(25℃)
- Merck
- 14 · 14,1309
- BRN
- 1703510 · 1703510
- 安定性
- 安定。強酸化剤、強塩基とは相容れない。吸湿性。
- InChI
- 1S/C2H5N3O2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)
- InChIKey
- OHJMTUPIZMNBFR-UHFFFAOYSA-N
- SMILES
- NC(=O)NC(N)=O
- CAS データベース
- 108 · 108-19-0(CAS DataBase Reference)
- NISTの化学物質情報
- Imidodicarbonic diamide(108-19-0)
- EPAの化学物質情報
- Imidodicarbonic diamide (108-19-0)
化学的性質
化学的特性white powder
安全と法規制
GHS分類
GHS Classification
Warning
H315 (100%): 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 135 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Imidodicarbonic diamide
Imidodicarbonic diamide is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Imidodicarbonic diamide are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Imidodicarbonic diamide: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMildly bacteriostatic and diuretic in rats; Also causes drop in blood pressure, marked urinary tract irritation, and increases in pepsin activity; [Merck Index] A skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Explosive Limits and PotentialDURING CHLORINATION OF IMPURE BIURET IN WATER @ 20 °C, A VIOLENT EXPLOSION OCCURRED. THIS WAS ATTRIBUTED TO CONVERSION OF THE CYANURIC ACID IMPURITY (3%) TO NITROGEN TRICHLORIDE & SPONTANEOUS EXPLOSION OF THE LATTER.
毒性情報
Non-Human Toxicity Excerpts
HAS WEAK...DIURETIC PROPERTIES IN RATS, ALSO CAUSES A FALL IN BLOOD PRESSURE, BUT PRODUCES STRONG IRRITATION OF URINARY TRACT. INCREASES THE ACTIVITY OF PEPSIN.
...TOXIC TO SOME CROPS...
RAIS Toxicity Values
0.0045
CALEPA
0.0004
CALEPA
安全データ
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29241990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37-36
- ストレージクラス
- 11 - Combustible Solids
- 有毒物質データの
- 108-19-0(Hazardous Substances Data)
化学と産業
薬理情報
MeSH Pharmacological Classification
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
用途と製造
Uses
Used as nitrogen source in feed supplements for sheep and cattle; [ChemIDplus] Used to make urea fertilizers and as an analytical reagent; [HSDB]
Farming (Feed Additives) [Category: Industry]
IN ANALYTICAL CHEMISTRY
IN MFR OF UREA FERTILIZER
U.S. Production2023: 100,000 - <250,000 lb
Consumer UsesSoil amendments (fertilizers)
Industry UsesSoil amendments (fertilizers)
Methods of Manufacturing
...ON A LARGE SCALE BY THE ACTION OF HEAT ON UREA. OTHER SYNTHESES ARE BASED ON TREATMENT OF UREA WITH INORGANIC HALIDES, SUCH AS THIONYL CHLORIDE, ON THE INTERACTION OF UREA & CYANIC ACID, & ON AMMONOLYSIS OF ALLOPHANIC ESTERS & RELATED COMPD.
General Manufacturing Information
Agriculture, Forestry, Fishing and Hunting
Imidodicarbonic diamide: ACTIVE
METHODS OF PURIFICATION: CRYSTALLIZATION.
UREA FOR SOME CROPS, SUCH AS IN FOLIAGE SPRAYS FOR CITRUS, SHOULD NOT CONTAIN MORE THAN 0.25% BIURET. (SEE "LB" UREA). /"LB" UREA IS COMMONLY DEFINED AS UREA WITH LESS THAN 0.25% BIURET/.
応用分野
解説allophanamide．C2H5N3O2(103.08)．NH2CONHCONH2．尿素を緩やかに約160 ℃ に加熱するか，シアノ尿素の加水分解によって得られる．また，アロファン酸エチルにアンモニアを作用させても生成する．1分子の結晶水をもつが，110 ℃ で脱水されて無水物となる．分解点190 ℃．d541.467．水に可溶，エタノールに易溶，エーテルに難溶．加熱分解するとシアン酸とアンモニアになる．アルカリに溶かして，硫酸銅水溶液を加えると青色を呈し，いわゆるビウレット反応を示す．[CAS 108-19-0]森北出版「化学辞典（第2版）
用途有機合成原料。合成樹脂・塗料材料。
用途は特性基として R-NH-CO-NR'-CO-NH-R'' という構造をもつ化合物の一般名としても使われる。ビウレット化合物はイソシアネートの3量化によっても生成する。例としてはウレタン樹脂などで用いられる1,6-ヘキサメチレンジイソシアネートの3量体であるHDIビウレットがある。 ビウレット反応は、タンパク質の検出に用いられる一つであり、タンパク質とビウレット化合物が銅に対して同じ呈色をすることから命名されたものである。試薬としてビウレット化合物を使用するわけではない。
使用Biuret is used in protein assay. It is also used as Catalytic agent, Petrochemical additive. It is used in organic synthesis. Biuret (Carbamoylurea) was used as a source of dietary nitrogen in purified diets for steers.
調製方法
純化方法Crystallise biuret from EtOH. [Beilstein 3 IV 141.]
上流・下流製品情報
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補足説明
定義ChEBI: A member of the class of condensed ureas that is the compound formed by the condensation of two molecules of urea; the parent compound of the biuret group of compounds. Used as a non-protein nitrogen source in ruminant feed.
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