기본 정보
- CAS
839-90-7- 표준 SMILES
O=c1n(CCO)c(=O)n(CCO)c(=O)n1CCO- InChIKey
BPXVHIRIPLPOPT-UHFFFAOYSA-N- 분자식
- C9H15N3O6
- 평균 분자량
- 261.23 g/mol
- 단동위원소 질량
- 261.0960852
개요
1,3,5-tris(2-hydroxyethyl)triazine-2,4,6-trione is a white powder. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 1,3,5-Tris(2-hydroxyethyl) isocyanurate
- IUPAC
- 1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
- 현지명
- 1,3,5-트리스(2-하이드록시에틸)이소시아누레이트
- 영어명
- 1,3,5-Tris(2-hydroxyethyl)cyanuric acid
- 분자식
- C9H15N3O6
- 분자량
- 261.23
이름 및 동의어
839-90-7Tris(2-hydroxyethyl) isocyanurateTheicTris(hydroxyethyl) cyanurateTris(2-hydroxyethyl)isocyanurateTris(2-hydroxyethyl)cyanurateIsocyanuric acid tris(2-hydroxyethyl) esterTris(beta-hydroxyethyl) isocyanurateEINECS 212-660-9NSC 11680Tris(hydroxyethyl) isocyanurateCCRIS 6113
이름 더 보기
1,3,5-트리스(2-하이드록시에틸)-1,3,5-트라이아진-2,4,6(1H,3H,5H)-트라이온1,3,5-트리스(2-하이드록시에틸)이소시아누레이트1,3,5-트리아진-2,4,6(1H,3H,5H)-트리온,1,3,5-트리스(2-하이드록시에틸)-1,3,5-트라이아진-2,4,6(1H,3H,5H)-트라이온, 1,3,5-트리스(2-하이드록시에틸)-1,3,5-트리스(2-하이드록시에틸) 아이소사이아누르 산1,3,5-트리스(2-하이드록시에틸) 아이소사이투르 산N,N',N''-트리스(2-하이드록시에틸) 아이소사이누린 산s-트라이아진-2,4,6(1H,3H,5H)-트라이온, 1,3,5-트리스(2-하이드록시에틸)-s-트라이아진-2,4,6(1H,3H,5H)-트라이온, 트리스(2-하이드록시에틸)-TANACTheich아이소사이아누린 산, 트리스(2-하이드록시에텔) 에스터트리스(2-하이드록시에텔) 아이소사이아누린 산트리스(2-하이드록시에틸)-s-트라이아진-2,4,6-트라이온
물성
구조 계산 물성
- XLogP
- -2.7
- 극성 표면적
- 122 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 271
실험 및 물리화학적 성질
PolymersPlastics & Rubber -> Other Monomers
Color/FormWHITE SOLID
Solubility
greater than or equal to 100 mg/mL at 68 °F (NTP, 1992)
VERY SOL IN WATER; SOMEWHAT SOL IN ALCOHOL, ACETONE; INSOL IN CHLOROFORM, BENZENE
Melting Point135 °C
Vapor Pressure0.000045 [mmHg]
Physical Description
1,3,5-tris(2-hydroxyethyl)triazine-2,4,6-trione is a white powder. (NTP, 1992)
Dry Powder
White solid; [HSDB] White powder; [MSDSonline]
Collision Cross Section159.3 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4026266]
Other Experimental PropertiesDISSOCIATES AT 180 °C (3 MM HG)
물리화학적 성질
- 녹는점
- 136 · 136-140 °C(lit.)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 66.8% (375 of 561) of all reports.
Warning
H315 (33.2%): 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 561 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-hydroxyethyl)-
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-hydroxyethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-hydroxyethyl)- 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: 02-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14797
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-hydroxyethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Fire HazardsFlash point data for this compound are not available, but it is probably combustible. (NTP, 1992)
Hazards SummaryOral LD50 (rat) >2000 mg/kg; NOAEL for reproductive toxicity = 1000 mg/kg/bw/day; [OECD SIDS: 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-hydroxyethyl) - 2002] An irritant; [MSDSonline] See Cyanuric acid.
Reactive GroupAlcohols and Polyols
Reactivity Profile
화학 및 산업
용도 및 제조
Uses
Used as a plastics additive to impart thermal stability; [HSDB] Used as a monomer to make polyesters (thermosetting varnishes and paints for metal) and as a polymer stabilizer; [OECD SIDS: 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-hydroxyethyl) - 2002]
Painting (Pigments, Binders, and Biocides) [Category: Paint]
ADDITIVE TO PLASTICS, ESPECIALLY TO IMPART THERMAL STABILITY
U.S. Production2023: 700,000 - <850,000 lb
Consumer UsesOther
Industry UsesMonomers
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-hydroxyethyl)-: ACTIVE
POLYMERIC ADSORBENTS WERE SYNTHESIZED USING 4 CROSSLINKING AGENTS: TRIALLYL-ISOCYANURATE, TRIS-(2-HYDROXYETHYL) ISOCYANURATE, BIS-BETA-HYDROXYETHYLSULFON, & 1,3,5-TRIACRYLOYL-HEXAHYDRO-S-TRIAZINE.
응용 분야
용도1,3,5-Tris(2-hydroxyethyl)cyanuric Acid, is a building block that can be used in polymer science. It has also shown to have synergistic flame retardancy properties.
일반 설명White powder.
상·하류 제품 정보
상류 원료
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