CAS 12225-39-7 Reactive Blue 15 (HCID 129651451)

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 12225-39-7
표준 SMILES: Nc1nc(Cl)nc(Nc2ccc(S(=O)(=O)[O-])c(NS(=O)(=O)c3ccc4c5[nH]c(c4c3)Nc3[n-]c(c4ccc(S(=O)(=O)[O-])cc34)Nc3[nH]c(c4cc(S(=O)(=O)[O-])ccc34)Nc3[n-]c(c4ccc(S(=O)(=O)[O-])cc34)N5)c2)n1.[Cu+2].[Na+].[Na+].[Na+].[Na+]
InChIKey: CYHBHJYHNLGHPZ-UHFFFAOYSA-J
분자식: C41H25ClCuN14Na4O14S5
평균 분자량: 1,289 g/mol

개요

no further info available 3/2002

이름 및 식별자

우선 이름: Reactive Blue 15
IUPAC: copper;tetrasodium;34-[[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]sulfamoyl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),3,5,7,9,12,14,16,18,21,23,25,27,30,32,34-hexadecaene-6,16,24-trisulfonate
영어명: tetrasodium [[[[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulphophenyl]amino]sulphonyl]-29H,31H-phthalocyaninetrisulphonato(6-)-N29,N30,N31,N32]cuprate(4-)
분자식: C41H19ClCuN14O14S5.4Na
분자량: 1282.97

이름 및 동의어

Reactive Blue 15Turquoise BlueRefChem:878948Cibacron Turquoise Blue GF-PEINECS 235-429-4CI 74459Cuprate(4-), (C-(((5-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)amino)sulfonyl)-29H,31H-phthalocyanine-C,C,C-trisulfonato(6-)-kappaN29,kappaN30,kappaN31,kappaN32)-, tetrasodiumCuprate(4-), (C-(((5-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)amino)sulfonyl)-29H,31H-phthalocyanine-C,C,C-trisulfonato(6-)-N29,N39,N31,N32)-, tetrasodiumReactive Blue MVCibacron Turquoise GFHelaktyn Turquoise DGProcion Turquoise H-GF

이름 더 보기

Kayacion Turquoise P-GFDiacron Turquoise Blue GFSumifix Turquoise Blue H-GFCibacron Turquoise Blue FGF-PReactive blue 15 (C.I. 74459)C.I.Reactive Blue 15:C.I.74459

물성

구조 계산 물성

극성 표면적: 475 Å²
수소 결합 공여자 수: 9
수소 결합 수용자 수: 26
회전 가능 결합 수: 5
무거운 원자 수: 80
형식 전하: 0
복잡도: 2,640

물리화학적 성질

EPA: Cuprate(4-), [C-[[[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]amino]sulfonyl]-29H,31H-phthalocyanine-C,C,C-trisulfonato(6-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, tetrasodium (12225-39-7)

안전 및 규제

안전 데이터

tsca: TSCA listed
기존화학 물질: KE-08107

화학 및 산업

제조 방법

Copper phthalocyanine use chlorosulfonic and chlorinated and sulfones chlorosulfonated, and 2,4-Diaminobenzenesulfonic acid first condensation, and 2,4,6-Trichloro-1,3,5-triazine second condensation, and then four and salting-out.