CAS 3351-05-1 Acid Blue 113 (HCID 18776)

기본 정보

CAS: 3351-05-1
표준 SMILES: O=S(=O)([O-])c1cccc(N=Nc2ccc(N=Nc3ccc(Nc4ccccc4)c4c(S(=O)(=O)[O-])cccc34)c3ccccc23)c1.[Na+].[Na+]
InChIKey: XPRMZBUQQMPKCR-UHFFFAOYSA-L
분자식: C32H21N5Na2O6S2
평균 분자량: 681.7 g/mol
단동위원소 질량: 681.07286432

이름 및 식별자

우선 이름: Acid Blue 113
IUPAC: disodium;8-anilino-5-[[4-[(3-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonate
영어명: Acid blue 113
분자식: C32H24N5NaO6S2
분자량: 661.68

이름 및 동의어

ACID BLUE 113Acid Fast Blue 5RSulfon Blue 5RCirene Blue 5RAFenazo Blue S5RCloth Blue 5RErionyl Blue S5RFast Blue 5RSulfonine Blue 5RAlphanol Blue 5RNCloth Fast Blue RKayanol Cyanine 5R

이름 더 보기

CI 26360CoomassieZRNAcidCyanine5RErionyl Navy RNavy Blue 5RC.I.Acidblue113Tracidcyanine5RConacid Blue AACCovalene Navy 2R

Sulphoncin Blue 5RSulphonol Navy 5RXCloth Fast Blue RNJava Fast Blue 5RErio Fast Blue S5RAcid Leather Blue RNBenzyl Fast Blue 5RCloth Fast Blue S5R

데이터베이스 식별자

CAS: 3351-05-1
PubChem CID: 18776
DTXSID: DTXSID7044920
UNII: 6BJW83X6LV
EC Number: 222-111-5
Nikkaji: J36.915B

물성

구조 계산 물성

극성 표면적: 193 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 11
회전 가능 결합 수: 6
무거운 원자 수: 47
형식 전하: 0
복잡도: 1,230

물리화학적 성질

밀도: 0.9 · 0.9[at 20℃]
증기압: 0 Pa · 0Pa at 25℃
저장 조건: room temp
용해도: 에 용해됨DMSO, 물 (약간 용해됨)
물리적 상태: 고체
색상: 매우 진한 파란색에서 검정색까지
수용성: 100 g/L · 100g/L at 20℃
안정성: 흡습성, 감광성
주요 응용: 진단 검사 제조혈액학조직학
InChIKey: XPRMZBUQQMPKCR-XGQONITOSA-L
SMILES: [Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)\N=N\c2ccc(\N=N\c3ccc(Nc4ccccc4)c5c(cccc35)S([O-])(=O)=O)c6ccccc26
LogP: -1 at · -1 at 20℃
EPA: 113 · C.I. Acid Blue 113 (3351-05-1)

화학적 성질

dark blue powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 6.1% (17 of 280) of reports.

Warning

H317 (81.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 280 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 1-Naphthalenesulfonic acid, 8-(phenylamino)-5-[[4-[(3-sulfophenyl)azo]-1-naphthalenyl]azo]-, disodium salt

REACH registered substance: Sodium 8-phenylamino-5-(4-(3-sulphonatophenylazo)-1-naphthylazo)naphthalenesulphonate (EC: 222-111-5)

1-Naphthalenesulfonic acid, 8-(phenylamino)-5-4-(3-sulfophenyl)azo-1-naphthalenylazo-, disodium salt: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Sens. 1 (81.4%)

안전 데이터

wgk: 1
tsca: TSCA listed
기존화학 물질: KE-06376
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information1-Naphthalenesulfonic acid, 8-(phenylamino)-5-[2-[4-[2-(3-sulfophenyl)diazenyl]-1-naphthalenyl]diazenyl]-, sodium salt (1:2): ACTIVE

응용 분야 · 1건

일반 설명Acid Blue 113 is a diazo dye widely used in the textile industry and tannery. The dye has been used in adsorption and degradation studies to decolorize and mineralize the toxic intermediates like aromatic amines produced in the textile effluent.

제조 방법

3-Aminobenzenesulfonic acid diazo, and Naphthalen-1-amine coupling, its product to diazo, and 8-(Phenylamino)naphthalen-1-ol coupling.

상·하류 제품 정보

상류 원료

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Acid Blue 113