기본 정보
- CAS
68929-07-7- 표준 SMILES
CCN(CCO)c1ccc(N=Nc2sc3ccc(OC)cc3[n+]2C)cc1.COS(=O)(=O)[O-]- InChIKey
HOHKDVIHEVYZBM-UHFFFAOYSA-M- 분자식
- C20H26N4O6S2
- 평균 분자량
- 482.6 g/mol
- 단동위원소 질량
- 482.12937691
이름 및 식별자
- 우선 이름
- Benzothiazolium, 2-(2-(4-(ethyl(2-hydroxyethyl)amino)phenyl)diazenyl)-5-methoxy-3-methyl-, methyl sulfate (1:1)
- IUPAC
- 2-[N-ethyl-4-[(5-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]ethanol;methyl sulfate
- 영어명
- 2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-5-methoxy-3-methylbenzothiazolium methyl sulphate
- 분자식
- C20H26N4O6S2
- 분자량
- 482.57364
이름 및 동의어
68929-07-7EINECS 273-039-6Benzothiazolium, 2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-5-methoxy-3-methyl-, methyl sulfate (salt)DTXSID2071869Benzothiazolium, 2-((4-(ethyl(2-hydroxyethyl)amino)phenyl)azo)-5-methoxy-3-methyl-, methyl sulfate (salt)Benzothiazolium, 2-(2-(4-(ethyl(2-hydroxyethyl)amino)phenyl)diazenyl)-5-methoxy-3-methyl-, methyl sulfate (1:1)Benzothiazolium, 2-[2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]-5-methoxy-3-methyl-, methyl sulfate (1:1)RefChem:118590DTXCID00463572-({4-[ethyl(2-hydroxyethyl)amino]phenyl}diazenyl)-5-methoxy-3-methyl-1,3-benzothiazol-3-ium methyl sulfateHOHKDVIHEVYZBM-UHFFFAOYSA-M2-((4-(Ethyl(2-hydroxyethyl)amino)phenyl)azo)-5-methoxy-3-methylbenzothiazolium methyl sulphate
이름 더 보기
2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-5-methoxy-3-methylbenzothiazolium methyl sulphateBenzothiazolium, 2-[[4-[ethyl(2-hydroxyethyl) amino]phenyl]azo]-5-methoxy-3-methyl-, methyl sulfate (salt)
NS00062908
물성
구조 계산 물성
- 극성 표면적
- 164 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 550
물리화학적 성질
- EPA
- 2 · Benzothiazolium, 2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-5-methoxy-3-methyl-, methyl sulfate (salt) (68929-07-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesEye Irrit. 2 (100%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzothiazolium, 2-[2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]-5-methoxy-3-methyl-, methyl sulfate (1:1): INACTIVE
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…