Disperse orange 3 (HCID 12896)

概要

4-(4-nitrophenylazo)aniline is azobenzene substituted at the phenyl 4-positions by an amino and a nitro group. It has a role as a dye and an allergen. It is a member of azobenzenes and a primary arylamine. It is functionally related to an azobenzene.

名称と識別子

優先名称: Disperse orange 3
IUPAC: 4-[(4-nitrophenyl)diazenyl]aniline
現地名: 4'-ニトロ-4-アミノアゾベンゼン
英語名: DISPERSE ORANGE 3
分子式: C12H10N4O2
分子量: 242.23

名称と別名

Disperse orange 3730-40-54-(4-Nitrophenylazo)anilineC.I. Disperse Orange 34-[(4-nitrophenyl)diazenyl]aniline4-Amino-4'-nitroazobenzeneBenzenamine, 4-[(4-nitrophenyl)azo]-4-((4-nitrophenyl)diazenyl)aniline1-(4'-aminophenylazo)-4-nitrobenzene4-[(4-nitrophenyl)azo]benzenamineMFCD00007856Benzeneamine, 4-((nitrophenyl)azo)-

名称をさらに表示

4-(4-ニトロフェニルアゾ)アニリンC.I.ソルベントオレンジ9C.I.ジスパースオレンジ34-アミノ-4'-ニトロアゾベンゼンディスパースオレンジZhディスパースオレンジ3ジスパースオレンジZh4'-ニトロアゾベンゼン-4-アミン4-[(4-ニトロフェニル)アゾ]ベンゼンアミンC.I.ディスパースオレンジ34'-ニトロ-4-アミノアゾベンゼン4-ニトロ-4'-アミノアゾベンゼンジスパースオレンジ 3ディスパースオレンジ3, 100 µg/mL in MeOH4′-ニトロアゾベンゼン-4-アミン4-[2-(4-ニトロフェニル)ジアゼン-1-イル]アニリン4′-ニトロ-4-アミノアゾベンゼン4-アミノ-4′-ニトロアゾベンゼン4-ニトロ-4′-アミノアゾベンゼンディスパースオレンジ3標準品CI 11005CellitonOrangeGRSolvent Orange 9abcolorange2rnex.DISPERSEORANGENO3Disperse Orange GRDisperse Orange Zh

Benzenamine, 4-((4-nitrophenyl)azo)-B7J3O076OTCHEBI:75648Benzenamine, 4-(2-(4-nitrophenyl)diazenyl)-T4874-((4-NITROPHENYL)AZO)BENZENAMINEDO3Benzenamine, 4-[2-(4-nitrophenyl)diazenyl]-

データベース識別子

CAS: 730-40-5
PubChem CID: 12896
DTXSID: DTXSID7061061
ChEMBL: CHEMBL5287885
ChEBI: CHEBI:75648
UNII: B7J3O076OT
EC Number: 211-984-8
Nikkaji: J2.364.317K、J2.364.318I、J6.955H

物性

構造計算による物性

XLogP: 3.2
極性表面積: 96.6 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 18
形式電荷: 0
複雑度: 300

実験および物理化学的性質

CosmeticsHair dyeing

LogP2.37

物理化学的性質

融点: 200 °C · ~200 °C (dec.)(lit.)
沸点: 385.06 °C · 385.06°C (rough estimate)
比重(密度): 1.2532 · 1.2532 (rough estimate)
屈折率: 1.6081 · 1.6081 (estimate)
貯蔵温度: Refrigerator
溶解性: クロロホルム（微量、加熱、超音波処理）、DMSO（微量）、メタノール（微量）
酸解離定数(Pka): 2.78 · 2.78±0.10(Predicted)
外見: 粉
色: 赤～こげ茶色
水溶解度: 290.7 ug/L · 290.7ug/L(25℃)
BRN: 1842907 · 1842907
Henry's Law Constant: 3.5 · 3.5×104 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
主な用途: 洗浄剤化粧品環境食品および飲料パーソナルケア
化粧品成分の機能: ヘアカラーリング
InChI: 1S/C12H10N4O2/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(8-6-11)16(17)18/h1-8H,13H2/b15-14+
InChIKey: UNBOSJFEZZJZLR-CCEZHUSRSA-N
SMILES: Nc1ccc(cc1)\N=N\c2ccc(cc2)[N+]([O-])=O
CAS データベース: 730 · 730-40-5(CAS DataBase Reference)
EPAの化学物質情報: 3 · C.I. Disperse Orange 3 (730-40-5)

化学的性質

化学的特性red to dark brown powder

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 3.6% (2 of 56) of reports.

Warning

H315 (76.8%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 56 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: Benzenamine, 4-[(4-nitrophenyl)azo]-

Benzenamine, 4-(4-nitrophenyl)azo-: 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 - Azo Dyes that Cleave to Aromatic Amines of Potential Toxicological Concern: Human health tier II assessment

Hazard Classes and CategoriesSkin Irrit. 2 (76.8%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 32041100
risk_code: 36/37/38-43
hazard_code: Xi
safety_code: 26-36/37
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

PharmacodynamicsT487 is a small molecule chemokine receptor antagonist to correct or modify immune system responses. It binds selectively and potently to CXCR3.

Mechanism of ActionT487 binds selectively and potently to CXCR3.

用途と製造

Use ClassificationCosmetics -> Hair dyeing

General Manufacturing InformationBenzenamine, 4-[2-(4-nitrophenyl)diazenyl]-: ACTIVE

応用分野 · 3 件

説明Disperse orange 3 is an azo dye which can induce contact dermatitis in workers in the textile industry. Patch tests are frequently positive (about 30%) in hairdressers with a hand dermatitis. It is probably an indicator of contact sensitization to PPD, but disperse orange 3 can also be found in so me semipermanent hair dyes.

使用Disperse orange 3 is used as a dye in acetate, nylon, silk, wool, and cotton; stocking dye.

一般的な説明Disperse Orange 3 (DO3) is a monoazo dye, which contains 90% dye content plus dispersing agents and surfactants. It has two aromatic rings with an amino group on one of the rings and the other is substituted with a nitro group. It shows an absorption peak majoring at 415 nm.

調製方法

製造方法4-Nitrobenzenamine diazo, with aniline base armour sulfonic acid coupling, and sodium hydroxide solution to boil, then a sulfonic acid hydrolysis off base.

上流・下流製品情報

上流原料

N-メチル-4-ニトロアニリン 4-ニトロベンゼンジアゾニウム 1-Triazene,1,3-bis(4-nitrophenyl)-1,2-BIS(4-NITROPHENYL)HYDRAZINE 4-ニトロジアゾアミノベンゼン 4-ニトロ-1-ベンゼンジアゾニウム·クロリド 1,4-フェニレンジアミンアニリン塩酸アニリン 4-ニトロアニリンアニリン 4-ニトロアニリン

下流製品

4,4'-ジアミノアゾベンゼンビフェニル

サプライヤー50 社

艾吉析科技（上海）有限公司17717235263 · [email protected]

广州纳珑化工有限公司13192879270; 13192879270 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]

補足説明

定義ChEBI: Azobenzene substituted at the phenyl 4-positions by an amino and a nitro group.

4'-ニトロ-4-アミノアゾベンゼン

基本情報

概要