기본 정보
- CAS
12236-92-9- 표준 SMILES
Cc1c(Nc2nc(Cl)nc(Nc3cccc(S(=O)(=O)[O-])c3)n2)c(C)c(S(=O)(=O)[O-])c(C)c1Nc1cc(S(=O)(=O)[O-])c(N)c2c1C(=O)c1ccccc1C2=O.[Na+].[Na+].[Na+]- InChIKey
ZUCXUTRTSQLRCV-UHFFFAOYSA-K- 분자식
- C32H23ClN7Na3O11S3
- 평균 분자량
- 882.2 g/mol
- 단동위원소 질량
- 880.9999286
이름 및 식별자
- 우선 이름
- 2-Anthracenesulfonic acid, 1-amino-4-((3-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:3)
- IUPAC
- trisodium;1-amino-4-[3-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate
- 영어명
- trisodium 1-amino-4-[[3-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
- 분자식
- C32H27ClN7NaO11S3
- 분자량
- 840.23
이름 및 동의어
DTXSID608902622-Anthracenesulfonic acid, 1-amino-4-((3-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:3)2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:3)Trisodium 1-amino-4-((3-((4-chloro-6-((3-sulphonatophenyl)amino)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulphonatophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonateTrisodium 1-amino-4-[[3-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonateRefChem:465268DTXCID001079199277-040-2602-661-612236-92-9C.I. Reactive Blue 4972927-99-2
이름 더 보기
1-Amino-4-[[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid sodium salt1-Amino-4-[[3-[[4-chloro-6-[[3-(sodiooxysulfonyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]-5-(sodiooxysulfonyl)-2,4,6-trimethylphenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid sodium salt
2-Anthracenesulfonic acid, 1-amino-4-((3-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, trisodium salt2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, trisodium saltEINECS 277-040-2SCHEMBL911398SCHEMBL293921522-Anthracenesulfonic acid, 1-amino-4-((5-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-3-sulfophenyl)amino)-, trisodium salttrisodium;1-amino-4-[3-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonateNS00020958
데이터베이스 식별자
- CAS
12236-92-9、72927-99-2- PubChem CID
- 166361
- DTXSID
DTXSID60890262- EC Number
- 277-040-2、602-661-6
물성
구조 계산 물성
- 극성 표면적
- 332 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 57
- 형식 전하
- 0
- 복잡도
- 1,700
물리화학적 성질
- 밀도
- 1.416 · 1.416[at 20℃]
- 증기압
- 0 Pa · 0Pa at 20℃
- 수용성
- 332 g/L · 332g/L at 20℃
- LogP
- -3.88 at · -3.88 at 20℃
- EPA
- 2 · 2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, trisodium salt (72927-99-2)
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 26.9% (14 of 52) of reports.
Danger
H317 (67.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:3)
REACH registered substance: Trisodium 1-amino-4-[[3-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate (EC: 277-040-2)
Hazard Classes and CategoriesSkin Sens. 1 (67.3%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:3): ACTIVE
공급사25 곳
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Alfa Chemistry+1-5166625404 · [email protected]
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