グリコールウリル

Glycoluril

HCID 62347CAS 496-46-8
部分構造検索類似構造を探す

基本情報

標準SMILES
O=C1NC2NC(=O)NC2N1
InChIKey
VPVSTMAPERLKKM-UHFFFAOYSA-N
分子式
C4H6N4O2
平均分子量
142.12 g/mol
単同位体質量
142.04907545

名称と識別子

優先名称
Glycoluril
IUPAC
1,3,3a,4,6,6a-hexahydroimidazo[4,5-d]imidazole-2,5-dione
現地名
グリコールウリル
英語名
Glycoluril
分子式
C4H6N4O2
分子量
142.12

名称と別名

Glycoluril496-46-8tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dioneAcetylenediureineAcetylene carbamideDTXSID60313801,3,3a,4,6,6a-hexahydroimidazo[4,5-d]imidazole-2,5-dioneImidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-CHEBI:42946Imidazo(4,5-d)imidazole-2,5(1H,3H)-dione, tetrahydro-Tetrahydroimidazo(4,5-d)imidazole-2,5(1H,3H)-dione1,3,3a,4,6,6a-hexahydroimidazo(4,5-d)imidazole-2,5-dione
名称をさらに表示
グリコールウリル3a,4,5,6,6a-ペンタヒドロイミダゾ[4,5-d]イミダゾール-2,5(1H,3H)-ジオン4,5-ウレイレンイミダゾリジン-2-オン3,3a,6,6a-テトラヒドロイミダゾ[4,5-d]イミダゾール-2,5(1H,4H)-ジオンアセチレン尿素アセチレンジウレインテトラヒドロイミダゾ[4,5-d]イミダゾール-2,5(1H,3H)-ジオンオクタヒドロイミダゾ[4,5-d]イミダゾール-2,5-ジオングリオキサルジウレイングリコルリル3a,4,6,6a-テトラヒドロイミダゾ[4,5-d]イミダゾール-2,5(1H,3H)-ジオン5(1HNSC 2765GlycourilGlycolueilGansu urea
RefChem:143920DTXCID4011380(3as,6as)-octahydroimidazo(4,5-d)imidazolidine-2,5-dioneAcetyleneureaGlyoxaldiureineAcetylenediureaGlyoxalbiuretGlyoxaldiurene

データベース識別子

CAS
496-46-8
PubChem CID
62347
DTXSID
DTXSID6031380
ChEMBL
CHEMBL3182837
ChEBI
CHEBI:42946
UNII
U9H2W4OS13
EC Number
207-821-5
Nikkaji
J1.042.644H、J2.599B

物性

構造計算による物性

XLogP
-1.6
極性表面積
82.3 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
10

実験および物理化学的性質

Physical Description · 2 件

Other Solid; Liquid

Solid; [Merck Index] Beige powder; [Sigma-Aldrich MSDS]

物理化学的性質

融点
300 °C · >300 °C (lit.)
沸点
259.66 °C · 259.66°C (rough estimate)
比重(密度)
1.4926 · 1.4926 (rough estimate)
蒸気圧
0 Pa · 0Pa at 25℃
屈折率
1.85 · 1.8500 (estimate)
貯蔵温度
Sealed in dry,Room Temperature

化学的性質

化学的特性WHITE TO VERY SLIGHTLY YELLOW CRYSTALLINE POWDER

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 14.9% (7 of 47) of reports.

Warning

H302 (85.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 7 of 47 reports by companies.；There is 1 notification provided by 40 of 47 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 4 件

Chemical: Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-

Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro- 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)

Status: Active Update: 08-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24399；Status: Active Update: 11-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/18710

Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryMay cause irritation; Harmful by ingestion; [Sigma-Aldrich MSDS] See Urea.
Hazard Classes and CategoriesAcute Tox. 4 (85.1%)

安全と保護具

Protective Action Criteria (PAC) · 3 件

30 [mg/m3]

330 [mg/m3]

2000 [mg/m3]

毒性情報

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

法規制情報

Regulatory Information · 4 件

Chemical: Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-

Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro- 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)

Status: Active Update: 08-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24399；Status: Active Update: 11-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/18710

Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

安全データ

wgk
1
tsca
TSCA listed
hs_code
29332990
risk_code
22
hazard_code
Xn
safety_code
24/25

化学と産業

用途と製造

Uses · 2 件

Permitted for use as an inert ingredient in non-food pesticide products; [EPA]

Glycoluril can be used to make Cucurbiturils. They have been used by chemists for various applications, including drug delivery, asymmetric synthesis, molecular switching, and dye tuning.

U.S. Production2023: 75,000 - <500,000 lb；2022: 500,000 - <1,000,000 lb；2021: 75,000 - <500,000 lb；2020: 75,000 - <500,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesOther
General Manufacturing Information · 2 件

Plastics Material and Resin Manufacturing

Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-: ACTIVE

応用分野

使用For derivatives glycoluril, glycoluril resins

上流・下流製品情報

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北金梭生物科技有限公司00123456789 · [email protected]

関連反応

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