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트리알릴 이소시아누르산염

Triallyl isocyanurate

HCID 13931
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
1025-15-6
표준 SMILES
C=CCn1c(=O)n(CC=C)c(=O)n(CC=C)c1=O
InChIKey
KOMNUTZXSVSERR-UHFFFAOYSA-N
분자식
C12H15N3O3
평균 분자량
249.27 g/mol
단동위원소 질량
249.11134135

개요

Triallyl isocyanurate is a white crystalline solid. (NTP, 1992)

이름 및 식별자

우선 이름
Triallyl isocyanurate
IUPAC
1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
현지명
트리알릴 이소시아누르산염
영어명
1,3,5-Tri-2-propenyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
분자식
C12H15N3O3
분자량
249.27

이름 및 동의어

TRIALLYL ISOCYANURATE1025-15-6Isocyanuric acid triallyl ester1,3,5-Tri-2-propenyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trioneTAICTriallylisocyanurate1,3,5-Triallyl isocyanurateDIAK 71,3,5-Triallylisocyanurate1,3,5-Triallyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trioneDTXSID00261751,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tri-2-propenyl-
이름 더 보기
트리알릴아이소시아누르산염트리알릴이소시아누르산염트라이알릴아이소사이아누레이트1,3,5-트리스(3-아미노메틸페닐)-1,3,5-(1H,3H,5H)-트라이아진-2,4,6-트라이온트리알릴아이소시아누르산염1,3,5-트라이(프로프-2-엔일)-1,3,5-트라이아지네인-2,4,6-트라이온1,3,5-트라이-2-프로펜일-1,3,5-트라이아진-2,4,6(1H,3H,5H)-트라이온1,3,5-트라이아진-2,4,6(1H,3H,5H)-트라이온, 1,3,5-트라이-2-프로펜-1-일-1,3,5-트라이알릴-1,3,5-트라이아진-2,4,6(1H,3H,5H)-트라이온1,3,5-트리스-2'-프로펜일아이소사이아누르산트라이아진 (1,3,5)-2,4,6(1H-3H-5H)-트라이온- 1,3,5-트라이-2-프로페닐-트라이알릴 아이소사이아누레이트FARIDA TAICTriallyl Isocyanurate(TAIC)

물성

구조 계산 물성

XLogP
1.3
극성 표면적
60.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
6
무거운 원자 수
18
형식 전하
0
복잡도
331

실험 및 물리화학적 성질

PolymersPlastics & Rubber -> Other Monomers
Density1.159 (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Flash Pointgreater than 230 °F (NTP, 1992)
Boiling Point300 to 306 °F at 4 mmHg (NTP, 1992)
Melting Point74 to 77 °F (NTP, 1992)
Physical Description · 3건

Triallyl isocyanurate is a white crystalline solid. (NTP, 1992)

Liquid; Other Solid; Large Crystals

Melting point = 20.5 deg C; [ChemIDplus] White solid; mp = 23-25 deg C; [CAMEO] Colorless viscous liquid; [Aldrich MSDS]

물리화학적 성질

녹는점
20.5 °C · 20.5°C
끓는 점
149 · 149-152 °C4 mm Hg(lit.)
밀도
1.159 g/mL · 1.159 g/mL at 25 °C(lit.)
증기압
3.5 hPa · 3.5 hPa (143 °C)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 2.4% (10 of 419) of reports.

Warning

H302+H312 (35.8%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]

P260, P264, P270, P273, P280, P301+P317, P302+P352, P317, P319, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 419 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

유해성 정보

Regulatory Information · 4건

Chemical: 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tri-2-propenyl-

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tri-2-propen-1-yl- 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-tri-2-propen-1-yl- 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)

REACH registered substance: 1,3,5-triallyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione (EC: 213-834-7)

1,3,5-Triallyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelClass 9
Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Hazards Summary · 1건

Increased liver weights and increased liver enzymes (AST, ALT, and LDH) observed in male rats in 28-day oral study at 50 mg/kg/day; Histopathological liver changes observed at the lowest tested dose of 5 mg/kg/day; No evidence of mutagenicity; [JECDB] Causes changes in liver, bladder, and spleen weights in 14-day intermittent oral studies of rats; [RTECS] May cause irritation; Harmful by ingestion; [Aldrich MSDS] See 1,3,5-Tris(2-hydroxyethyl) isocyanurate.

화학 및 산업

용도 및 제조

U.S. Production2023: 100,000 - <250,000 lb
Consumer UsesProcessing aids, specific to petroleum production
Industry UsesOther
General Manufacturing Information · 2건

Rubber Product Manufacturing

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tri-2-propen-1-yl-: ACTIVE

응용 분야

용도crosslinking accelerator agent for peroxide

일반 설명White crystalline solid.

상·하류 제품 정보

상류 원료

시아누릭 산2,4,6-트리알릴옥시-1,3,5-트리아지Cyanuric acid trisodium salt1,3-디클로로프로펜시안산염브롬화알릴알릴메탄설포네이트알릴 알코올트리페닐포스핀1,3-Cyclohexadiene, 5,5-dimethyl-

관련 반응

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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
1,3,5-Triallylisocyanuric acid
diak7
s-Triazine-2,4,6(1H,3H,5H)-trione, triallyl-s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-triallyl-P48OBJ1G11NSC-11692DTXCID906175RefChem:190821213-834-71,3,5-Triallyl-1,3,5-triazinane-2,4,6-trione

데이터베이스 식별자

CAS
1025-15-6
PubChem CID
13931
DTXSID
DTXSID0026175
ChEMBL
CHEMBL1327450
ChEBI
CHEBI:195263
UNII
P48OBJ1G11
EC Number
213-834-7
Nikkaji
J1.235A
굴절률
20 · n20/D 1.513(lit.)
인화점
230 °F · >230 °F
저장 조건
Keep in dark place,Inert atmosphere,Room temperature
용해도
3.7 g/L · 3.7g/L
산도 계수 (pKa)
-2.33 · -2.33±0.20(Predicted)
물리적 상태
녹은 후에 액체
색상
무색~황색으로 투명함
수용성
1 g/L · > 1g/L(20℃)
BRN
225482 · 225482
안정성
자발적인 중합이 일어나는 경향이 있을 수 있습니다. 상업용 제품에는 일반적으로 t-부틸히드로퀴논과 같은 안정제가 첨가되어 공급됩니다. 과산화물, 강산화제, 강산, 강염기와 호환되지 않습니다.
InChI
1S/C12H15N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h4-6H,1-3,7-9H2
InChIKey
KOMNUTZXSVSERR-UHFFFAOYSA-N
SMILES
C=CCN1C(=O)N(CC=C)C(=O)N(CC=C)C1=O
LogP
1.92 at · 1.92 at 25℃
NIST
1 · 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tri-2-propenyl-(1025-15-6)
EPA
Triallyl isocyanurate (1025-15-6)

화학적 성질

colourless viscous liquid or white powder

Reactive GroupIsocyanates and Isothiocyanates
Reactivity Profile · 1건

Isocyanates and thioisocyanates, such as TRIALLYL ISOCYANURATE, are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence, [Wischmeyer(1969)].

Air and Water ReactionsInsoluble in water.
Hazard Classes and Categories · 2건

Acute Tox. 4 (97.6%)

Acute toxicity (Oral) - Category 4

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

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. If symptoms (such as redness or irritation) develop, immediately transport the victim to a hospital.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol 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.

Isolation and EvacuationExcerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Personal Protective Equipment (PPE) · 1건

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)

독성 정보

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
XZ1915000
독성
LD50 orally in Rabbit: 700 mg/kg LD50 dermal Rat 2480 mg/kg
HS 번호
2929109000
risk_code
22
hazard_code
Xn
safety_code
36/37/39
기존화학 물질
KE-34777
F 고인화성물질
10
Hazard Classifications
Acute Tox. 4 OralSTOT RE 2
스토리지 클래스
11 - Combustible Solids

하류 제품

1,3-bis(oxiranylmethyl)-5-(2-propenyl)-1,3,5-Triazine-2,4,6(1H,3H,5H)-trione트리스(2,3-디브로모프로필) 아이소시안요산염1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-(2-oxiranylMethyl)-3,5-di-2-propen-1-yl-

공급사100 곳

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