基本情報
- CAS
158707-49-4- 標準SMILES
COc1cc(N=Nc2c(Br)cc([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)cc1N(CCOC(C)=O)CCOC(C)=O- InChIKey
JSRUDOBCTLPTFO-UHFFFAOYSA-N- 分子式
- C23H25BrN6O10
- 平均分子量
- 625.4 g/mol
- 単同位体質量
- 624.08155
名称と識別子
- 優先名称
- Disperse Blue 79:1
- IUPAC
- 2-[5-acetamido-N-(2-acetyloxyethyl)-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino]ethyl acetate
- 現地名
- 2'-[(2-ブロモ-4,6-ジニトロフェニル)アゾ]-5'-[ビス(2-アセトキシエチル)アミノ]-4'-メトキシアセトアニリド
- 英語名
- Disperse Blue 79:1
- 分子式
- C23H25BrN6O10
- 分子量
- 625.38
名称と別名
3618-72-2DISPERSE BLUE 79:1RefChem:200688C.I. Disperse Blue 79:1Disperse Blue Black 792-[5-acetamido-N-(2-acetyloxyethyl)-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino]ethyl acetate3-(2,4-Dinitro-6-bromophenylazo)-4-acetamido-6-(N,N-bis(acetoxyethyl)amino)anisole4-(6-Bromo-2,4-dinitrophenylazo)-3-acetylamino-6-methoxy-N-bis(acetoxyethyl)aniline7S69658NN7Acetamide, N-(5-(bis(2-(acetyloxy)ethyl)amino)-2-((2-bromo-4,6-dinitrophenyl)azo)-4-methoxyphenyl)-Benzeneamine, 5-acetamino-4-((2,4-dinitro-6-bromophenyl)azo)-2-methoxy-N,N-bis((2-acetoxy)ethyl)-2,2'-((5-Acetamido-4-((2-bromo-4,6-dinitrophenyl)azo)-2-methoxyphenyl)imino)diethyl diacetate
名称をさらに表示
N-[5-[ビス[2-(アセチルオキシ)エチル]アミノ]-2-[(2-ブロモ-4,6-ジニトロフェニル)アゾ]-4-メトキシフェニル]アセトアミド5'-ビス[2-(アセチルオキシ)エチル]アミノ-2'-(2-ブロモ-4,6-ジニトロフェニルアゾ)-4'-メトキシアセトアニリド2-(2-ブロモ-4,6-ジニトロフェニルアゾ)-4-メトキシ-5-[ビス(2-アセトキシエチル)アミノ]-1-(アセチルアミノ)ベンゼン5'-[N,N-ビス(2-アセチルオキシエチル)アミノ]-2'-(2-ブロモ-4,6-ジニトロフェニルアゾ)-4'-メトキシアセトアニリド
物性
構造計算による物性
- XLogP
- 3.1
- 極性表面積
- 211 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 13
- 回転可能結合数
- 13
- 重原子数
- 40
- 形式電荷
- 0
- 複雑度
- 924
実験および物理化学的性質
LogP4.44
物理化学的性質
- 融点
- 149 · 149-151 °C
- 沸点
- 796.7 · 796.7±60.0 °C(Predicted)
- 比重(密度)
- 1.55 · 1.55
- 酸解離定数(Pka)
- 13.49 · 13.49±0.70(Predicted)
- LogP
- 1.63 at · 1.63 at 20℃
- EPAの化学物質情報
- 79 · C.I. Disperse Blue 79:1 (3618-72-2)
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 75.7% (28 of 37) of all reports.
H412 (24.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 37 reports by companies from 4 notifications to the ECHA C&L Inventory.
Not Classified
Not Classified
危険有害性情報
Regulatory Information
Chemical: Acetamide, N-[5-[bis[2-(acetyloxy)ethyl]amino]-2-[(2-bromo-4,6-dinitrophenyl)azo]-4-methoxyphenyl]-
Acetamide, N-[5-[bis[2-(acetyloxy)ethyl]amino]-2-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetamide, N-[5-[bis[2-(acetyloxy)ethyl]amino]-2-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 2,2'-[[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]imino]diethyl diacetate (EC: 222-813-1)
Acetamide, N-5-bis2-(acetyloxy)ethylamino-2-(2-bromo-4,6-dinitrophenyl)azo-4-methoxyphenyl-: 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 - Acetamide, N-[5-[bis[2-(acetyloxy)ethyl]amino]-2-[(2-bromo-4,6-dinitrophenyl)azo]-4-methoxyphenyl]-: Human health tier I assessment
Hazard Classes and Categories
Aquatic Chronic 3 (24.3%)
Not Classified
安全データ
化学と産業
用途と製造
U.S. Production2022: 33,810 lb
Industry UsesDye
General Manufacturing Information
Textiles, apparel, and leather manufacturing
Acetamide, N-[5-[bis[2-(acetyloxy)ethyl]amino]-2-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]-: ACTIVE
上流・下流製品情報
上流原料
サプライヤー8 社
Alfa Chemistry1-516-6625404 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
重庆卡兰医药有限公司
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