1,3,5-트리아진
1,3,5-Triazine
기본 정보
- CAS
290-87-9- 표준 SMILES
c1ncncn1- InChIKey
JIHQDMXYYFUGFV-UHFFFAOYSA-N- 분자식
- C3H3N3
- 평균 분자량
- 81.08 g/mol
- 단동위원소 질량
- 81.03269711
개요
1,3,5-triazine is a member of 1,3,5-triazines and a triazine.
이름 및 식별자
- 우선 이름
- 1,3,5-Triazine
- IUPAC
- 1,3,5-triazine
- 현지명
- 1,3,5-트리아진
- 영어명
- 1,3,5-Triazine
- 분자식
- C3H3N3
- 분자량
- 81.08
이름 및 동의어
1,3,5-TRIAZINEs-Triazines-Triazine-(1,3,5)EINECS 206-028-1UNII-8B5F4CM81ENSC 561898B5F4CM81ETRIAZINE, 1,3,5-S-TRIAZINE [MI]NSC-56189DTXSID7052785CHEBI:30259
이름 더 보기
1,3,5-트리아진TRIAZINETRIAZINETriazin(sym.)1,3,5-TriazinTriazinCyanidines-Triazinvedita250
6294-83-3RefChem:72302DTXCID3031361InChI=1/C3H3N3/c1-4-2-6-3-5-1/h1-3JIHQDMXYYFUGFV-UHFFFAOYSA-N290-87-9sym-TriazineVedita 250
데이터베이스 식별자
- CAS
290-87-9- PubChem CID
- 9262
- DTXSID
DTXSID7052785- ChEMBL
CHEMBL15698- ChEBI
CHEBI:30259- UNII
- 8B5F4CM81E
- EC Number
- 206-028-1
- Nikkaji
- J102.028E
물성
구조 계산 물성
- XLogP
- 0
- 극성 표면적
- 38.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 21.5
실험 및 물리화학적 성질
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP-0.73
물리화학적 성질
- 녹는점
- 77 · 77-83 °C (dec.)(lit.)
- 끓는 점
- 114 °C · 114°C
- 밀도
- 1 · 1,38 g/cm3
- 굴절률
- 1.506 · 1.5060 (estimate)
- 인화점
- 114 °C · 114°C
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 0.1 g/mL, · 메탄올: 0.1 g/mL, 투명
- 산도 계수 (pKa)
- 2.07 · 2.07±0.10(Predicted)
- 물리적 상태
- powder to crystal
- 색상
- White to Orange to Green
- Merck
- 14 · 14,9602
- BRN
- 104790 · 104790
- NIST
- 1 · 1,3,5-Triazine(290-87-9)
화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1,3,5-Triazine
1,3,5-Triazine: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (97.8%)
안전 데이터
- wgk
- 3
- rtecs
- XY2957000
- ridadr
- UN2928
- HS 번호
- 29339900
- risk_code
- 22-37/38-41-34
- hazard_code
- Xn,C
- safety_code
- 22-24/25-39-26-45-36/37/39-27
- 포장분류
- II
- 위험 등급
- 6.1
화학 및 산업
응용 분야
용도1,3,5-Triazine is a reagent in oxidation reactions, in synthesis of heterocycles. Triazine derivatives are used as herbicides, pharmaceuticals, complexation agents, peptidomimetic building blocks, and dyes.
제조 방법
Symmetrical 1,3,5-triazines are prepared by trimerization of certain nitriles such as cyanogen chloride or cyanimide. Benzoguanamine (with one phenyl and 2 amino substituents) is synthesised from benzonitrile and dicyandiamide. In the Pinner triazine synthesis (named after Adolf Pinner) the reactants are an alkyl or aryl amidine and phosgene. Insertion of an N-H moiety into a hydrazide by a copper carbenoid, followed by treatment with ammonium chloride also gives the triazine core.Amine-substituted triazines called Guanamines are prepared by the condensation of cyanoguanidine with the corresponding nitrile:(H2N)2C=NCN + RCN → (CNH2)2(CR)N3
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
40건
화합물 노트
불러오는 중…