CAS 4129-84-4 Violet BNP (HCID 92205)

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기본 정보

CAS: 4129-84-4
표준 SMILES: CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)[O-])c3)C=C2)c2ccc(N(CC)Cc3cccc(S(=O)(=O)[O-])c3)cc2)cc1.[Na+]
InChIKey: FJBHGWADYLMEJG-UHFFFAOYSA-M
분자식: C41H44N3NaO6S2
평균 분자량: 761.9 g/mol
단동위원소 질량: 761.25692276

개요

structure given in first source

이름 및 식별자

우선 이름: Violet BNP
IUPAC: sodium 3-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate
현지명: C.I. 산 바이올렛 17, 나트륨 염
영어명: Acid Violet 17
분자식: C41H46N3NaO6S2
분자량: 763.94

이름 및 동의어

Violet bnpUG8B688N57NSC-5019NSC-71963Benzenemethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt, sodium saltBenzenemethanaminium, N-[4-[[4-(diethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, sodium saltRefChem:901975DTXCID40152870223-942-6DTXSID90230379AcidViolet17Coomassie Violet R200

이름 더 보기

C.I.산바이올렛17,나트륨염C.I.산바이올렛17,나트륨염CI 42650NSC71963CI NO 426501942 VioletACID VIOLET 17SERVA VIOLET 17c.i.foodviolet1

Coomassie Violet RAcid violet 17 (Technical Grade)Formyl VioletAcid Violet ACSFood Violet 1Acid Violet 4BOAcid Violet 5BSAmacid Violet 3B

물성

구조 계산 물성

극성 표면적: 141 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 8
회전 가능 결합 수: 12
무거운 원자 수: 53
형식 전하: 0
복잡도: 1,370

물리화학적 성질

밀도: 1.342 · 1.342[at 20℃]
저장 조건: Hygroscopic, Refrigerator, under inert atmosphere
용해도: 메탄올(매우 소량), 물(미량)에 용해됨
물리적 상태: 고체
색상: 매우 어두운 보라색
BRN: 4114992 · 4114992
주요 응용: 진단 검사 제조혈액학조직학
InChIKey: FJBHGWADYLMEJG-UHFFFAOYSA-M
SMILES: C(C1C=CC(N(CC)CC)=CC=1)(=C1C=C/C(=[N+](\CC)/CC2C=CC=C(S([O-])(=O)=O)C=2)/C=C1)C1C=CC(N(CC)CC2C=CC=C(S(O)(=O)=O)C=2)=CC=1.[NaH]
EPA: 4 · Benzenemethanaminium, N-[4-[[4-(diethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, sodium salt (4129-84-4)

안전 및 규제

유해성 정보

Regulatory InformationViolet bnp: 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.

안전 데이터

wgk: 3
tsca: TSCA listed
기존화학 물질: KE-06823
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

UsesSubstance listed with specific concentration in tattoo ink and/or permanent make up according to EU Commission Regulation 2020/2081. The concentration limit (by weight) is 0.1%.

제조 방법 · 1건

3-(Ethyl(phenyl)amino)methyl)benzenesulfonic acid condensation, and then (a) oxidation as dimer water molecules (hydrol), again with N,N-diethylbenzenamine condensation, oxidation, and translated into sodium salt; Or (b) in N,N-diethylbenzenaminepresence, with heavy chromate acid direct oxidation.

상·하류 제품 정보

상류 원료

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C.I. 산 바이올렛 17, 나트륨 염