Benzo(a)phenazinium, 5-((4-(diethylamino)-3-sulfophenyl)amino)-9-(ethyl((3-sulfophenyl)methyl)amino)-7-phenyl-, inner salt, monosodium salt

HCID 6454722CAS 6378-89-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCN(Cc1cccc(S(=O)(=O)[O-])c1)c1ccc2nc3c4ccccc4c(Nc4ccc(N(CC)CC)c(S(=O)(=O)[O-])c4)cc3[n+](-c3ccccc3)c2c1.[Na+]
InChIKey
NSHHRCZECSCEJY-UHFFFAOYSA-M
분자식
C41H38N5NaO6S2
평균 분자량
783.9 g/mol
단동위원소 질량
783.21612022

이름 및 식별자

우선 이름
Benzo(a)phenazinium, 5-((4-(diethylamino)-3-sulfophenyl)amino)-9-(ethyl((3-sulfophenyl)methyl)amino)-7-phenyl-, inner salt, monosodium salt
IUPAC
sodium 2-(diethylamino)-5-[[9-[ethyl-[(3-sulfonatophenyl)methyl]amino]-7-phenylbenzo[a]phenazin-7-ium-5-yl]amino]benzenesulfonate
영어명
Acid blue 98 (C.I. 50335)
분자식
C41H39N5O6S2.Na
분자량
784.91

이름 및 동의어

6378-89-8Benzo(a)phenazinium, 5-((4-(diethylamino)-3-sulfophenyl)amino)-9-(ethyl((3-sulfophenyl)methyl)amino)-7-phenyl-, inner salt, monosodium saltBenzo(a)phenazinium, 5-((4-(diethylamino)-3-sulfophenyl)amino)-9-(ethyl((3-sulfophenyl)methyl)amino)-7-phenyl-, inner salt, sodium salt (1:1)72829-38-0Benzo[a]phenazinium, 5-[[4-(diethylamino)-3-sulfophenyl]amino]-9-[ethyl[(3-sulfophenyl)methyl]amino]-7-phenyl-, inner salt, monosodium saltBenzo(a)phenazinium, 5-((4-(diethylamino)-3-sulfophenyl)amino)-9-(ethyl((3-sulfophenyl)methyl)amino)-7-phenyl-, inner salt, disodium saltBenzo[a]phenazinium, 5-[[4-(diethylamino)-3-sulfophenyl]amino]-9-[ethyl[(3-sulfophenyl)methyl]amino]-7-phenyl-, inner salt, disodium saltBenzo(a)phenazinium, 5-((4-(diethylamino)-3-sulfophenyl)amino)-9-(ethyl((3-sulfophenyl)methyl)amino)-7-phenyl-, inner salt, sodium salt (1:2)DTXSID00980353NSHHRCZECSCEJY-UHFFFAOYSA-M5-((4-Diethylamino-3-sulfophenyl)imino)-9-(N-ethyl-N-((3-sulfophenyl)methyl)amino)-7-phenyl-5,7-dihydrobenzo(a)phenazine, disodium saltSodium 2-(diethylamino)-5-[(9-{ethyl[(3-sulfonatophenyl)methyl]amino}-7-phenylbenzo[a]phenazin-7-ium-5-yl)amino]benzene-1-sulfonate
이름 더 보기
C.I.50335Acid Blue 98C.I.Acid Blue 98Supranol Fast Cyanine BAcid blue 98 (C.I. 50335)C.I.Acid Blue 98:C.I.503359-[N-Ethyl-N-(3-sodiosulfobenzyl)amino]-5-[(4-diethylamino-3-sulfophenyl)amino]-7-phenylbenzo[a]phenazin-7-iumsodium,2-(diethylamino)-5-[[9-[ethyl-[(3-sulfonatophenyl)methyl]amino]-7-phenylbenzo[a]phenazin-7-ium-5-yl]amino]benzenesulfonate

데이터베이스 식별자

CAS
6378-89-8、72829-38-0
PubChem CID
6454722
DTXSID
DTXSID00980353
EC Number
613-380-3

물성

구조 계산 물성

극성 표면적
166 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
10
회전 가능 결합 수
10
무거운 원자 수
55

물리화학적 성질

EPA
5 · Benzo[a]phenazinium, 5-[[4-(diethylamino)-3-sulfophenyl]amino]-9-[ethyl[(3-sulfophenyl)methyl]amino]-7-phenyl-, inner salt, monosodium salt (6378-89-8)

안전 및 규제

안전 데이터

tsca
TSCA listed

화학 및 산업

용도 및 제조

General Manufacturing Information · 2건

Benzo[a]phenazinium, 5-[[4-(diethylamino)-3-sulfophenyl]amino]-9-[ethyl[(3-sulfophenyl)methyl]amino]-7-phenyl-, inner salt, sodium salt (1:1): INACTIVE

Benzo[a]phenazinium, 5-[[4-(diethylamino)-3-sulfophenyl]amino]-9-[ethyl[(3-sulfophenyl)methyl]amino]-7-phenyl-, inner salt, sodium salt (1:2): INACTIVE

제조 방법 · 1건

N-ethyl-N-benzyl-4-nitrosoanilineand N-phenyl-2-naphthylaminec condensation and oxidation of the product. Then with N1,N1-diethylbenzene-1,4-diamine and condensation of a mixture of N,N-diethyl-4-nitrosobenzenamine and with 65% oleum disulfonated finally converted into sodium salt.

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