기본 정보
- CAS
52239-04-0- 표준 SMILES
CCN(CCC(=O)OC)c1ccc(N=Nc2snc3ccc([N+](=O)[O-])cc23)cc1- InChIKey
VHLFTCNAACYPDY-UHFFFAOYSA-N- 분자식
- C19H19N5O4S
- 평균 분자량
- 413.5 g/mol
- 단동위원소 질량
- 413.11577528
이름 및 식별자
- 우선 이름
- beta-Alanine, N-ethyl-N-(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)-, methyl ester
- IUPAC
- methyl 3-[N-ethyl-4-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]anilino]propanoate
- 현지명
- 메틸N-에틸-N-[4-[(5-니트로-2,1-벤즈이소티아졸-3-일)아조]페닐]-베타-알라니네이트
- 영어명
- methyl N-ethyl-N-[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]-beta-alaninate
- 분자식
- C19H19N5O4S
- 분자량
- 413.45
이름 및 동의어
Disperse Blue 148.beta.-Alanine, N-ethyl-N-[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]-, methyl esterbeta-Alanine, N-ethyl-N-(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)-, methyl esterbeta-Alanine, N-ethyl-N-[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]-, methyl esterRefChem:567217.beta.-Alanine, N-ethyl-N-4-(5-nitro-2,1-benzisothiazol-3-yl)azophenyl-, methyl esterbeta-Alanine, N-ethyl-N-4-(5-nitro-2,1-benzisothiazol-3-yl)azophenyl-, methyl ester52239-04-0methyl 3-[N-ethyl-4-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]anilino]propanoateC.I. Disperse Blue 148;C.I. 11124DisperseBlue148EINECS 257-779-7
이름 더 보기
메틸N-에틸-N-[4-[(5-니트로-2,1-벤즈이소티아졸-3-일)아조]페닐]-베타-알라니네이트C.I. 11124Disperse Blue 148, BRDisperse blue 148 (C.I. 11124)C.I.Disperse Blue 148:C.I.11124C.I. Disperse Blue 148 press cakeDisperse Blue 148 (C.I. Disperse Blue 148methyl N-ethyl-N-[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]ph...Methyl N-ethyl-N-[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]-β-alaninatemethyl N-ethyl-N-[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]-β-alaninate
Dispersion blue 148C.I.Disperse Blue 148C.I. Disperse Blue 148orb1706368SCHEMBL4622758DTXSID6068725SCHEMBL12954910SCHEMBL13475233
데이터베이스 식별자
- CAS
52239-04-0- PubChem CID
- 104135
- DTXSID
DTXSID6068725- EC Number
- 257-779-7
- Nikkaji
- J295.621G
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 141 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 594
물리화학적 성질
- 녹는점
- 121 °C · 121 °C
- 끓는 점
- 597.5 · 597.5±50.0 °C(Predicted)
- 밀도
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.19 · 2.19±0.50(Predicted)
- EPA
- 4 · .beta.-Alanine, N-ethyl-N-[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]-, methyl ester (52239-04-0)
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 20% (4 of 20) of reports.
Warning
H317 (25%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 20 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: .beta.-Alanine, N-ethyl-N-[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]-, methyl ester
REACH registered substance: Methyl N-ethyl-N-[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]-β-alaninate (EC: 257-779-7)
.beta.-Alanine, N-ethyl-N-4-(5-nitro-2,1-benzisothiazol-3-yl)azophenyl-, methyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Sens. 1 (25%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information.beta.-Alanine, N-ethyl-N-[4-[2-(5-nitro-2,1-benzisothiazol-3-yl)diazenyl]phenyl]-, methyl ester: ACTIVE
제조 방법
5-Nitro-1,3-dihydrobenzo[c]isothiazol-3-amine diazo, and Methyl 3-(ethyl(phenyl)amino)propanoatecoupling.
상·하류 제품 정보
상류 원료
공급사21 곳
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