Acid Red 111

HCID 22831CAS 6358-57-2

基本情報

標準SMILES: Cc1ccc(S(=O)(=O)Oc2ccc(N=Nc3ccc(-c4ccc(N=Nc5c(S(=O)(=O)[O-])cc6cc(S(=O)(=O)[O-])ccc6c5O)cc4C)c(C)c3)cc2)cc1.[Na+].[Na+]
InChIKey: YFSRRLXAGNGNNQ-UHFFFAOYSA-L
分子式: C37H28N4Na2O10S3
平均分子量: 830.8 g/mol
単同位体質量: 830.07629466

名称と識別子

優先名称: Acid Red 111
IUPAC: disodium;4-hydroxy-3-[[3-methyl-4-[2-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate

名称と別名

Acid Red 1116358-57-2C.I. Acid Red 111, disodium saltC.I. ACID RED 111CCRIS 2424EINECS 228-779-486K4T0CSTSCI ACID RED 111ACID RED FGNACID RED F 3GL2,7-Naphthalenedisulfonic acid, 3-((2,2'-dimethyl-4'-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-4-hydroxy-, disodium saltDTXSID3044708

名称をさらに表示

2,7-Naphthalenedisulfonic acid, 3-(2-(2,2'-dimethyl-4'-(2-(4-(((4-methylphenyl)sulfonyl)oxy)phenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-4-hydroxy-, sodium salt (1:2)CI 23266CI ACID RED 111, DISODIUM SALTC.I. 232662,7-Naphthalenedisulfonic acid, 3-[[2,2'-dimethyl-4'-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxy-, disodium saltDisodium 3-((2,2'-dimethyl-4'-((4-(((p-tolyl)sulphonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-4-hydroxynaphthalene-2,7-disulphonateDisodium 3-[[2,2'-dimethyl-4'-[[4-[[(p-tolyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-2,7-disulphonate2,7-Naphthalenedisulfonic acid, 3-[2-[2,2'-dimethyl-4'-[2-[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-4-hydroxy-, sodium salt (1:2)

データベース識別子

CAS: 6358-57-2
PubChem CID: 22831
DTXSID: DTXSID3044708
UNII: 86K4T0CSTS
EC Number: 228-779-4

物性

構造計算による物性

極性表面積: 253 Å²
水素結合供与体数: 1
水素結合受容体数: 14
回転可能結合数: 8
重原子数: 56
形式電荷: 0
複雑度: 1,620

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 27.8% (5 of 18) of reports.

Warning

H317 (11.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]

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

Aggregated GHS information provided per 18 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: 2,7-Naphthalenedisulfonic acid, 3-[[2,2'-dimethyl-4'-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxy-, disodium salt

Hazard Traits - Bioaccumulation; Environmental Persistence

REACH registered substance: Disodium 3-[[2,2'-dimethyl-4'-[[4-[[(p-tolyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-2,7-disulphonate (EC: 228-779-4)

2,7-Naphthalenedisulfonic acid, 3-[[2,2'-dimethyl-4'-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxy-, disodium salt: 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.

Other Safety InformationIMAP assessments - 2,7-Naphthalenedisulfonic acid, 3-[[2,2'-dimethyl-4'-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxy-, disodium salt: Human health tier I assessment

Hazard Classes and CategoriesSkin Sens. 1 (11.1%)

化学と産業

用途と製造

General Manufacturing Information2,7-Naphthalenedisulfonic acid, 3-[2-[2,2'-dimethyl-4'-[2-[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-4-hydroxy-, sodium salt (1:2): ACTIVE