기본 정보
- 표준 SMILES
CN1CN(C)CN(C)C1- InChIKey
DPMZXMBOYHBELT-UHFFFAOYSA-N- 분자식
- C6H15N3
- 평균 분자량
- 129.2 g/mol
- 단동위원소 질량
- 129.12659748
이름 및 식별자
- 우선 이름
- 1,3,5-Trimethyl-1,3,5-triazacyclohexane
- IUPAC
- 1,3,5-trimethyl-1,3,5-triazinane
- 현지명
- 1,3,5-트리메틸헥사하이드로1-3-5-트리아진
- 영어명
- 1,3,5-Trimethylhexahydro-1,3,5-triazine
- 분자식
- C6H15N3
- 분자량
- 129.2
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
108-74-7- PubChem CID
- 7952
- DTXSID
DTXSID6051560- UNII
- 91CT72PELC
- EC Number
- 203-612-8
- Nikkaji
- J22.134A
물성
구조 계산 물성
- XLogP
- 0.4
- 극성 표면적
- 9.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 63.3
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- -27 °C · -27 °C
- 끓는 점
- 162 · 162-163.5 °C
- 밀도
- 0.91 · 0.91
- 증기압
- 3.4 hPa · 3.4hPa at 20℃
- 굴절률
- 1.461 · 1.461-1.463
- 인화점
- 49 °C · 49 °C
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 기름
- 산도 계수 (pKa)
- 6.5 · 6.50±0.20(Predicted)
- 색상
- 무색
- 수용성
- 350 g/L · 350g/L at 25℃
- InChI
- 1S/C6H15N3/c1-7-4-8(2)6-9(3)5-7/h4-6H2,1-3H3
- InChIKey
- DPMZXMBOYHBELT-UHFFFAOYSA-N
- SMILES
- CN1CN(C)CN(C)C1
- LogP
- 0.76 · 0.76
- EPA
- 1 · 1,3,5-Triazine, hexahydro-1,3,5-trimethyl- (108-74-7)
화학적 성질
clear colorless liquid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 1.4% (1 of 74) of reports.
Danger
H226 (82.4%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 74 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1,3,5-Triazine, hexahydro-1,3,5-trimethyl-
1,3,5-Triazine, hexahydro-1,3,5-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3,5-Triazine, hexahydro-1,3,5-trimethyl- 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: 08-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13293
1,3,5-Trimethylhexahydro-1,3,5-triazine: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- XY9300000
- ridadr
- 1993
- HS 번호
- 2933.69.6050
- risk_code
- 36/37/38-10-52/53-43-34-22
- hazard_code
- Xi,N,C
- safety_code
- 37/39-26-16-36/37/39-45
- 포장분류
- III
- 위험 등급
- 3.2
- 기존화학 물질
- 2014-3-5828
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Flam. Liq. 3Skin Corr. 1BSkin Sens. 1STOT RE 2
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
1,3,5-Triazine, hexahydro-1,3,5-trimethyl-: ACTIVE
응용 분야
용도1,3,5-Trimethylhexahydro-1,3,5-triazine is used in preparation of Zirconium and Hafnium Borylimides as polymerization catalysts.
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