기본 정보
- CAS
5863-46-7- 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)c(C)c1.[Na+]- InChIKey
IXNUVCLIRYUKFB-UHFFFAOYSA-M- 분자식
- C42H46N3NaO6S2
- 평균 분자량
- 776 g/mol
- 단동위원소 질량
- 775.27257282
개요
See other relationships...
이름 및 식별자
- 우선 이름
- hydrogen (4-((4-(diethylamino)-o-tolyl)(4-(ethyl(3-sulphonatobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)(3-sulphonatobenzyl)ammonium, sodium salt
- IUPAC
- sodium 3-[[4-[[4-(diethylamino)-2-methylphenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate
- 영어명
- Acid blue 15
- 분자식
- C42H46N3NaO6S2
- 분자량
- 776.96
이름 및 동의어
Benzenemethanaminium, N-(4-((4-(diethylamino)-2-methylphenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, hydroxide, inner salt, sodium saltBenzenemethanaminium, N-(4-((4-(diethylamino)-2-methylphenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt, sodium salt (1:1)Benzenemethanaminium, N-[4-[[4-(diethylamino)-2-methylphenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, hydroxide, inner salt, sodium saltHydrogen (4-((4-(diethylamino)-o-tolyl)(4-(ethyl(3-sulphonatobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)(3-sulphonatobenzyl)ammonium, sodium saltHydrogen [4-[[4-(diethylamino)-o-tolyl][4-[ethyl(3-sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)(3-sulphonatobenzyl)ammonium, sodium saltBenzenemethanaminium, N-[4-[[4-(diethylamino)-2-methylphenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, sodium salt (1:1)RefChem:789044227-511-3Acid Blue 155863-46-7sodium;3-[[4-[[4-(diethylamino)-2-methylphenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonateBenzenemethanaminium, N-(4-((4-(diethylamino)-2-methylphenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt, sodium salt
이름 더 보기
CI 42645CI NO 42665SERVA BLUE WWater Blue 116Lecotan Blue ALTriacid Blue B.Vicoacid Blue 15C.I. Acid Blue 15Raviramine Blue BS
Benzenemethanaminium, N-[4-[[4-(diethylamino)-2-methylphenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, sodium saltEINECS 227-511-3SCHEMBL5450183SERVA Blue W soluble in waterSCHEMBL29356850DTXSID20974173IXNUVCLIRYUKFB-UHFFFAOYSA-MNS00127270
데이터베이스 식별자
- CAS
5863-46-7- PubChem CID
- 22151
- DTXSID
DTXSID20974173- EC Number
- 227-511-3
물성
구조 계산 물성
- 극성 표면적
- 141 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 54
- 형식 전하
- 0
- 복잡도
- 1,410
물리화학적 성질
- 밀도
- 1.342 · 1.342[at 20℃]
- LogP
- -1.43 at · -1.43 at 20℃
- EPA
- 4 · Benzenemethanaminium, N-[4-[[4-(diethylamino)-2-methylphenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, sodium salt (5863-46-7)
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 38.9% (7 of 18) of reports.
H411 (61.1%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 18 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Benzenemethanaminium, N-[4-[[4-(diethylamino)-2-methylphenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, hydroxide, inner salt, sodium salt
REACH registered substance: Hydrogen [4-[[4-(diethylamino)-o-tolyl][4-[ethyl(3-sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)(3-sulphonatobenzyl)ammonium, sodium salt (EC: 227-511-3)
Hazard Classes and CategoriesAquatic Chronic 2 (61.1%)
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-06342
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzenemethanaminium, N-[4-[[4-(diethylamino)-2-methylphenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, sodium salt (1:1): ACTIVE
제조 방법
Formaldehyde(1 Moore) and N,N-diethyl-3-methylbenzenamine (2 Moore) condensation, and then in 3-(Ethyl(phenyl)amino)methyl)benzenesulfonic acidwith heavy chromate acid oxidation.
상·하류 제품 정보
상류 원료
공급사11 곳
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