4-[(2-クロロ-4-ニトロフェニル)アゾ]-N-(2-シアノエチル)-N-(2-アセトキシエチル)ベンゼンアミン

Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)amino)-

HCID 80118
ノート反応
部分構造検索類似構造を探す

基本情報

CAS
6021-61-0
標準SMILES
CC(=O)OCCN(CCC#N)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2Cl)cc1
InChIKey
XSTSGWJEOIPFED-UHFFFAOYSA-N
分子式
C19H18ClN5O4
平均分子量
415.8 g/mol
単同位体質量
415.10473174

名称と識別子

優先名称
Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)amino)-
IUPAC
2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)anilino]ethyl acetate
現地名
4-[(2-クロロ-4-ニトロフェニル)アゾ]-N-(2-シアノエチル)-N-(2-アセトキシエチル)ベンゼンアミン
英語名
Disperse Red 54
分子式
C19H18ClN5O4
分子量
415.83

名称と別名

Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[(2-chloro-4-nitrophenyl)azo]phenyl]amino]-EINECS 227-876-92-(4-((2-Chloro-4-nitrophenyl)azo)-N-(2-cyanoethyl)anilino)ethyl acetate2-[4-[(2-CHLORO-4-NITROPHENYL)AZO]-N-(2-CYANOETHYL)ANILINO]ETHYL ACETATE4-((2-Chloro-4-nitrophenyl)azo)-N-(2-cyanoethyl)-N-(2-acetoxyethyl)aniline4-(2-Chloro-4-nitrophenylazo)-N-(beta-acetoxyethyl)-N-(beta-cyanoethyl)anilinePropanenitrile, 3-((2-(acetyloxy)ethyl)(4-((2-chloro-4-nitrophenyl)azo)phenyl)amino)-Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)amino)-Propanenitrile, 3-((2-acetoxyethyl)(4-((2-chloro-4-nitrophenyl)azo)phenyl)amino)-Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]amino]-RefChem:869020Propanenitrile, 3-2-(acetyloxy)ethyl4-(2-chloro-4-nitrophenyl)azophenylamino-
名称をさらに表示
2'-クロロ-4'-ニトロ-4-[2-シアノエチル(2-アセトキシエチル)アミノ]アゾベンゼンN-(2-シアノエチル)-N-(2-アセトキシエチル)-2'-クロロ-4'-ニトロアゾベンゼン-4-アミン3-[[2-(アセチルオキシ)エチル][4-[(2-クロロ-4-ニトロフェニル)アゾ]フェニル]アミノ]プロパンニトリル4-[(2-クロロ-4-ニトロフェニル)アゾ]-N-(2-シアノエチル)-N-(2-アセトキシエチル)ベンゼンアミンDisperse Red 54XSTSGWJEOIPFED-GHVJWSGMSA-NC.I.Disperse Red 54:C.I. 11131C.I. Disperse Red 54 press cakeDisperse Scarlet S-3GFL (C.I. Disperse Red 54)2-[4-[(2-chloro-4-nitrophenyl)azo]-N-(2-cyanoethyl)anilino]e...2'-Chloro-4'-nitro-4-[2-cyanoethyl(2-acetoxyethyl)amino]azobenzeneN-(2-Cyanoethyl)-N-(2-acetoxyethyl)-2'-chloro-4'-nitroazobenzene-4-amine
227-876-96021-61-02-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)anilino]ethyl acetatePROPANENITRILE,3-[[2-(ACETYLOXY)ETHYL][4-[(2-CHLORO-4-NITROPHENYL)AZO]PHENYL]AMINO]-orb2566423DTXSID6064084SCHEMBL12955662SCHEMBL29393827

データベース識別子

CAS
6021-61-0
PubChem CID
80118
DTXSID
DTXSID6064084
EC Number
227-876-9
Nikkaji
J223.952C

物性

構造計算による物性

XLogP
3.9
極性表面積
124 Ų
水素結合供与体数
0
水素結合受容体数
8
回転可能結合数
9
重原子数
29

物理化学的性質

沸点
622.6 · 622.6±55.0 °C(Predicted)
比重(密度)
1.31 · 1.31±0.1 g/cm3(Predicted)
蒸気圧
0 Pa · 0Pa at 20℃
酸解離定数(Pka)
1.17 · 1.17±0.50(Predicted)
水溶解度
94 μg/L · 94μg/L at 20℃
LogP
4.03 at · 4.03 at 25℃

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 100% (23 of 23) of all reports.

Not Classified

Aggregated GHS information provided per 23 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[(2-chloro-4-nitrophenyl)azo]phenyl]amino]-

REACH registered substance: 2-[4-[(2-chloro-4-nitrophenyl)azo]-N-(2-cyanoethyl)anilino]ethyl acetate (EC: 227-876-9)

Propanenitrile, 3-2-(acetyloxy)ethyl4-(2-chloro-4-nitrophenyl)azophenylamino-: 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 CategoriesNot Classified

安全データ

tsca
TSCA listed

化学と産業

用途と製造

General Manufacturing InformationPropanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]amino]-: ACTIVE

サプライヤー8 社

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
重庆卡兰医药有限公司[email protected]

関連反応

0 件
反応記録を作成

現在のフィルター条件では反応記録がありません。

化合物ノート

読み込み中…