2,7-Naphthalenedisulfonic acid, 3-[2-(5-chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-, sodium salt (1:2)

HCID 160832CAS 6416-66-6

기본 정보

표준 SMILES: Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])c(N=Nc4cc(Cl)ccc4Oc4ccccc4)c(O)c23)cc1.[Na+].[Na+]
InChIKey: XDBZPHDFHYZHNG-UHFFFAOYSA-L
분자식: C29H20ClN3Na2O10S3
평균 분자량: 748.1 g/mol
단동위원소 질량: 746.97947308

이름 및 식별자

우선 이름: 2,7-Naphthalenedisulfonic acid, 3-[2-(5-chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-, sodium salt (1:2)
IUPAC: disodium;3-[(5-chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2,7-disulfonate
영어명: Tracid Brilliant Red B
분자식: C29H20ClN3Na2O10S3
분자량: 748.11074

이름 및 동의어

Acid Red 249EINECS 229-129-2EC 229-129-2Disodium 3-[(5-chloro-2-phenoxyphenyl)azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonate2,7-Naphthalenedisulfonic acid, 3-((5-chloro-2-phenoxyphenyl)azo)-4-hydroxy-5-(((4-methylphenyl)sulfonyl)amino)-, disodium salt2,7-Naphthalenedisulfonic acid, 3-(2-(5-chloro-2-phenoxyphenyl)diazenyl)-4-hydroxy-5-(((4-methylphenyl)sulfonyl)amino)-, sodium salt (1:2)2,7-Naphthalenedisulfonic acid, 3-[(5-chloro-2-phenoxyphenyl)azo]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-, disodium saltDisodium 3-((5-chloro-2-phenoxyphenyl)azo)-4-hydroxy-5-(((p-tolyl)sulphonyl)amino)naphthalene-2,7-disulphonate2,7-Naphthalenedisulfonic acid, 3-[2-(5-chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-, sodium salt (1:2)RefChem:4460452,7-Naphthalenedisulfonic acid, 3-(5-chloro-2-phenoxyphenyl)azo-4-hydroxy-5-(4-methylphenyl)sulfonylamino-, disodium salt229-129-2

이름 더 보기

SMBRC.I.18134Conacid Red BDNProjet MagentalBrilliant Red BKenanthrol Red BNAcid Brilliant Red BTriacid Fast Red 2BN.

6416-66-6Tracid Brilliant Red Bdisodium;3-[(5-chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2,7-disulfonate3-(5-chloro-2-phenoxyphenyl)azo-4-hydroxy-5-(p-tolyl)sulphonylaminonaphthalene-2,7-disulphonate (disodium salt)C.I. Acid Red 249orb2567095SCHEMBL29360079DTXSID80889431

데이터베이스 식별자

CAS: 6416-66-6
PubChem CID: 160832
DTXSID: DTXSID80889431
EC Number: 229-129-2

물성

구조 계산 물성

극성 표면적: 240 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 13
회전 가능 결합 수: 7
무거운 원자 수: 48
형식 전하: 0
복잡도: 1,360

물리화학적 성질

밀도: 1.538 · 1.538[at 20℃]
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨), 물(약간 용해됨)
물리적 상태: 고체
색상: 매우 어두운 갈색에서 검정색까지
수용성: 160.71 g/L · 160.71g/L at 20℃
LogP: -1.609 at · -1.609 at 20℃
EPA: 2 · 2,7-Naphthalenedisulfonic acid, 3-[(5-chloro-2-phenoxyphenyl)azo]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-, disodium salt (6416-66-6)

안전 및 규제

GHS 분류

GHS Classification · 4건

This chemical does not meet GHS hazard criteria for 4% (87 of 2159) of reports.

H411 (94.1%): 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 2159 reports by companies from 8 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: 2,7-Naphthalenedisulfonic acid, 3-[(5-chloro-2-phenoxyphenyl)azo]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-, disodium salt

REACH registered substance: Disodium 3-[(5-chloro-2-phenoxyphenyl)azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonate (EC: 229-129-2)

2,7-Naphthalenedisulfonic acid, 3-(5-chloro-2-phenoxyphenyl)azo-4-hydroxy-5-(4-methylphenyl)sulfonylamino-, disodium salt: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 2,7-Naphthalenedisulfonic acid, 3-[(5-chloro-2-phenoxyphenyl)azo]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-, disodium salt: Human health tier I assessment

Hazard Classes and CategoriesAquatic Chronic 2 (94.1%)

안전 데이터

tsca: TSCA listed
기존화학 물질: KE-06772

화학 및 산업

용도 및 제조

General Manufacturing Information2,7-Naphthalenedisulfonic acid, 3-[2-(5-chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-, sodium salt (1:2): ACTIVE

제조 방법

5-Chloro-2-phenoxybenzenaminediazo, and8-(4-Methylphenylsulfonamido)-1-naphthol-3,6-disulfonic acidcoupling.

상·하류 제품 정보

상류 원료

공급사35 곳

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