基本情報
- CAS
2429-82-5- 標準SMILES
Nc1ccc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(-c4ccc(N=Nc5ccc(O)c(C(=O)[O-])c5)cc4)cc3)c(O)c2c1.[Na+].[Na+]- InChIKey
CXAVOCVLMJULES-UHFFFAOYSA-L- 分子式
- C29H19N5Na2O7S
- 平均分子量
- 627.5 g/mol
- 単同位体質量
- 627.0800577
概要
Reddish-brown solid or dark brown powder. (NTP, 1992)
名称と識別子
- 優先名称
- Direct Brown 2
- IUPAC
- disodium;5-[[4-[4-[(7-amino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoate
- 現地名
- ダイレクト ファスト ブラウン M
- 英語名
- DIRECT FAST BROWN M
- 分子式
- C29H22N5NaO7S
- 分子量
- 607.57
名称と別名
Direct Fast Brown M2429-82-5CI Direct Brown 2DIRECT BROWN 2Azocard Brown MUnion Brown DRC.I. Direct Brown 2Azocord Brown MAzomine Brown MDiamine Brown MDiazine Brown MFenamin Brown M
名称をさらに表示
ダイレクト ファスト ブラウン M5-[[4'-[(7-アミノ-1-ヒドロキシ-3-スルホ-2-ナフチル)アゾ]-1,1'-ビフェニル-4-イル]アゾ]-2-ヒドロキシ安息香酸二ナトリウムダイレクトブラウンMダイレクトファーストブラウンM5-[4-[1-ヒドロキシ-3-(ソジオスルホ)-7-アミノ-2-ナフチルアゾ]ビフェニル-4'-イルアゾ]サリチル酸ナトリウムC.I.ダイレクトブラウン2C.I.ダイレクトブラウン 2（ニナトリウム塩）ダイレクトファストブラウンM5-[4-[1-ヒドロキシ-3-(ソジオスルホ)-7-アミノ-2-ナフチルアゾ]ビフェニル-4′-イルアゾ]サリチル酸ナトリウム5-[[4′-[(7-アミノ-1-ヒドロキシ-3-スルホ-2-ナフチル)アゾ]-1,1′-ビフェニル-4-イル]アゾ]-2-ヒドロキシ安息香酸二ナトリウムナトリウム 5-{2-[4'-(2-{7-アミノ-1-ヒドロキシ-3-[(ソジオオキシ)スルホニル]ナフタレン-2-イル}ジアゼン-1-イル)-[1,1'-ビフェニル]-4-イル]ジアゼン-1-イル}-2-ヒドロキシベンゾアートbrownmci22311NSC74701c.i.22311NSC 74701
物性
構造計算による物性
- 極性表面積
- 222 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 12
- 回転可能結合数
- 5
- 重原子数
- 44
- 形式電荷
- 0
- 複雑度
- 1,070
実験および物理化学的性質
Chemical ClassesDyes -> Benzidine Dyes
Solubility1 to 10 mg/mL at 68 °F (NTP, 1992)
Physical Description
Reddish-brown solid or dark brown powder. (NTP, 1992)
Reddish-brown or dark brown solid; [CAMEO]
物理化学的性質
- 外見
- powder to crystal
- 色
- Light yellow to Brown to Dark green
- 安定性
- 安定。強力な酸化剤とは相容れない。
- InChIKey
- LIZWXWTXUIJRIZ-KZIIJSKASA-N
- SMILES
- OC1=C(C(S(O)(=O)=O)=CC2=CC=C(N)C=C12)/N=N/C1C=CC(C2C=CC(/N=N/C3C=CC(O)=C(C(=O)O)C=3)=CC=2)=CC=1.[NaH]
- CAS データベース
- 2429 · 2429-82-5
- EPAの化学物質情報
- 2 · C.I. Direct Brown 2, disodium salt (2429-82-5)
化学的性質
化学的特性reddish-brown powder
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H350: May cause cancer [Danger Carcinogenicity]
危険有害性情報
Regulatory Information
Chemical: Benzoic acid, 5-[[4'-[(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo][1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, disodium salt
S - indicates a substance that is identified in a final Significant New Use Rule.
Benzoic acid, 5-[[4'-[(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo][1,1'-biphenyl]-4-yl]azo]-2-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 - Benzidine-based dyes: Human health tier II assessment
Fire HazardsFlash point data for this chemical are not available, however, it is probably combustible. (NTP, 1992)
Hazards SummaryNo information available on health hazards: [CAMEO] One of the azo dyes metabolized to benzidine--known to be a human carcinogen; [NTP] See C.I. Direct Brown 95.
Reactive GroupAzo, Diazo, Azido, Hydrazine, and Azide Compounds
Reactivity AlertsExplosive
Reactivity Profile
化学と産業
用途と製造
Uses
Used as dye for cellulose and nylon fibers, silk, wool, paper, leather, and cosmetics; [HSDB]
Pulp and Paper Processing [Category: Industry]
DYE FOR COLORING AND PRINTING CELLULOSE AND NYLON FIBERS, FOR SILK, WOOL, PAPER, LEATHER, COSMETICS
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) 1.00X10+6 GRAMS (PRINCPL CUSTMS DISTS)
(1979) 6.00X10+6 GRAMS (PRINCPL CUSTMS DISTS)
U.S. Production
(1978) 1.26X10+7 GRAMS
(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS
Consumption PatternsESSENTIALLY 100% AS A DYE
Methods of ManufacturingCOUPLING OF TETRAZOTIZED BENZIDINE WITH SALICYCLIC ACID, THEN COUPLING WITH GAMMA ACID UNDER ALKALINE CONDITIONS
General Manufacturing Information
Benzoic acid, 5-[2-[4'-[2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-2-hydroxy-, sodium salt (1:2): INACTIVE
SOL DYE TAKEN UP DIRECTLY BY FIBERS, PRESUMABLY DUE TO SELECTIVE ADSORPTION. USUALLY APPLIED TO COTTON OR...(COTTON-WOOL MIXT). DYING ASSISTANTS...SODIUM CHLORIDE OR SODIUM SULFATE ARE USED TO OBTAIN HIGHER CONCN OF DYE ON FIBERS. /DIRECT DYE/
応用分野
使用Direct Fast Brown M is a direct dye used with textiles. It is a water pollutant, removed from the environment via adsorption by magnetic nano cobalt ferrite doped Capra aegagrus hircus dung activated carbon composite.
一般的な説明Reddish-brown solid or dark brown powder.
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