基本情報
- CAS
12222-69-4- 標準SMILES
Nc1ccc(N=Nc2ccc(N(CCO)CCO)cc2)cc1- InChIKey
NZKTVPCPQIEVQT-UHFFFAOYSA-N- 分子式
- C16H20N4O2
- 平均分子量
- 300.36 g/mol
- 単同位体質量
- 300.15862589
概要
Disperse Black 9 is an organic molecular entity. It has a role as a dye.
名称と識別子
- 優先名称
- Disperse Black 9
- IUPAC
- 2-[4-[(4-aminophenyl)diazenyl]-N-(2-hydroxyethyl)anilino]ethanol
- 英語名
- DISPERSE BLACK 9
- 分子式
- C16H20N4O2
- 分子量
- 300.36
名称と別名
Disperse black 912222-69-42,2'-((p-((p-Aminophenyl)azo)phenyl)imino)diethanol7GKC99M24TCOLOREX DBL9LOWADENE BLACK 9Ethanol, 2,2'-[[4-[(4-aminophenyl)azo]phenyl]imino]bis-EINECS 243-987-5DTXSID70666452,2'-((4-((4-Aminophenyl)azo)phenyl)imino)bisethanol2,2'-[[4-[(4-aminophenyl)azo]phenyl]imino]bisethanol2,2'-((4-((4-Aminophenyl)azo)phenyl)imino)bis(ethanol)
名称をさらに表示
BASIC BLACK 9C.I. Disperse Black 9C.I.Disperse Black 9:C.I.111301TIANFU-CHEM CAS:12222-69-4 DISPERSE BLACK 92,2'-((4-((4-Aminophenyl)diazenyl)phenyl)azanediyl)diethanol2,2'-((4-((4-Aminophenyl)diazenyl)phenyl)azanediyl)diethanol
Ethanol, 2,2'-((4-((4-aminophenyl)azo)phenyl)imino)bis-Ethanol, 2,2'-((4-(2-(4-aminophenyl)diazenyl)phenyl)imino)bis-2,2'-[4-(4-Aminophenylazo)phenylimino]diethanol4-(4'-ANILINOAZO)-N,N-BIS(2-HYDROXYETHYL)ANILINE4-AMINO-4'-(BIS(.BETA.-HYDROXYETHYL)AMINO)AZOBENZENEEthanol, 2,2'-[[4-[2-(4-aminophenyl)diazenyl]phenyl]imino]bis-2,2'-(4-(4-aminophenylazo)phenylimino)diethanolRefChem:589574
データベース識別子
物性
構造計算による物性
- XLogP
- 1.8
- 極性表面積
- 94.4 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 6
- 回転可能結合数
- 7
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 318
実験および物理化学的性質
Cosmetics
Cosmetic ingredients (Disperse Black 9) -> CIR (Cosmetic Ingredient Review)
Undefined function
物理化学的性質
- 融点
- 157 · 157-160 ºC
- InChI
- InChI=1S/C16H20N4O2/c17-13-1-3-14(4-2-13)18-19-15-5-7-16(8-6-15)20(9-11-21)10-12-22/h1-8,21-22H,9-12,17H2/b19-18+
- InChIKey
- NZKTVPCPQIEVQT-VHEBQXMUSA-N
- SMILES
- C1(C=CC(/N=N/C2=CC=C(N)C=C2)=CC=1)N(CCO)CCO
- CAS データベース
- 12222 · 12222-69-4(CAS DataBase Reference)
- EPAの化学物質情報
- 2 · Ethanol, 2,2'-[[4-[(4-aminophenyl) azo]phenyl]imino]bis-(12222-69-4)
化学的性質
化学的特性Brown-black 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
This chemical does not meet GHS hazard criteria for 1% (1 of 102) of reports.
Warning
H302 (56.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 102 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
危険有害性情報
Regulatory Information
Chemical: Ethanol, 2,2'-[[4-[2-(4-aminophenyl)diazenyl]phenyl]imino]bis-
Ethanol, 2,2'-[[4-[(4-aminophenyl)azo]phenyl]imino]bis-: 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.
Hazard Classes and CategoriesAcute Tox. 4 (56.9%)
毒性情報
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
安全データ
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
化学と産業
用途と製造
UsesCIR ingredient: Disperse Black 9
Household ProductsInformation on 14 consumer products that contain C.I. Disperse Black 9 in the following categories is provided:
Use ClassificationCosmetics -> Undefined function
General Manufacturing InformationEthanol, 2,2'-[[4-[2-(4-aminophenyl)diazenyl]phenyl]imino]bis-: ACTIVE
調製方法
製造方法4-Nitrobenzenamine diazo, and N,N-dihydroxyethylanilinecoupling, and then will the nitro reductive into amino.
上流・下流製品情報
上流原料
サプライヤー7 社
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
四川省维克奇生物科技有限公司18108052721 17743264324 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司
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