Glycoluril

HCID 62347CAS 496-46-8
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기본 정보

표준 SMILES
O=C1NC2NC(=O)NC2N1
InChIKey
VPVSTMAPERLKKM-UHFFFAOYSA-N
분자식
C4H6N4O2
평균 분자량
142.12 g/mol
단동위원소 질량
142.04907545

이름 및 식별자

우선 이름
Glycoluril
IUPAC
1,3,3a,4,6,6a-hexahydroimidazo[4,5-d]imidazole-2,5-dione
영어명
Glycoluril
분자식
C4H6N4O2
분자량
142.12

이름 및 동의어

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
이름 더 보기
5(1HNSC 2765GlycourilGlycolueilGansu urea
RefChem:143920DTXCID4011380(3as,6as)-octahydroimidazo(4,5-d)imidazolidine-2,5-dioneAcetyleneureaGlyoxaldiureineAcetylenediureaGlyoxalbiuretGlyoxaldiurene

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
-1.6
극성 표면적
82.3 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
10

실험 및 물리화학적 성질

Physical Description · 2건

Other Solid; Liquid

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

물리화학적 성질

녹는점
300 °C · >300 °C (lit.)
끓는 점
259.66 °C · 259.66°C (rough estimate)
밀도
1.4926 · 1.4926 (rough estimate)
증기압
0 Pa · 0Pa at 25℃
굴절률
1.85 · 1.8500 (estimate)
저장 조건
Sealed in dry,Room Temperature

화학적 성질

WHITE TO VERY SLIGHTLY YELLOW CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 6건

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.

유해성 정보

Regulatory Information · 4건

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%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

30 [mg/m3]

330 [mg/m3]

2000 [mg/m3]

독성 정보

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

규제 정보

Regulatory Information · 4건

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.

안전 데이터

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

화학 및 산업

용도 및 제조

Uses · 2건

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 · 2건

Plastics Material and Resin Manufacturing

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

응용 분야

용도For derivatives glycoluril, glycoluril resins

상·하류 제품 정보

공급사50 곳

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]

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