基本情報
- CAS
12270-45-0- 標準SMILES
CCN(CCC#N)c1ccc(N=Nc2c(Br)cc([N+](=O)[O-])cc2Br)cc1- InChIKey
MWMJPPMTXZJLIK-UHFFFAOYSA-N- 分子式
- C17H15Br2N5O2
- 平均分子量
- 481.1 g/mol
- 単同位体質量
- 478.95925
名称と識別子
- 優先名称
- Propanenitrile, 3-[[4-[2-(2,6-dibromo-4-nitrophenyl)diazenyl]phenyl]ethylamino]-
- IUPAC
- 3-[4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-ethylanilino]propanenitrile
- 現地名
- ディスパズ オレンジ６１
- 英語名
- Disperse Orange 61
- 分子式
- C17H15Br2N5O2
- 分子量
- 481.1413
名称と別名
Disperse Orange 61EINECS 259-563-83-((4-((2,6-Dibromo-4-nitrophenyl)azo)phenyl)ethylamino)propiononitrile3-[[4-[(2,6-Dibromo-4-nitrophenyl)azo]phenyl]ethylamino]propiononitrile4-(2,6-Dibromo-4-nitrophenylazo)-N-(beta-cyanoethyl)-N-ethylanilinePropanenitrile, 3-((4-((2,6-dibromo-4-nitrophenyl)azo)phenyl)ethylamino)-Propanenitrile, 3-[[4-[(2,6-dibromo-4-nitrophenyl)azo]phenyl]ethylamino]-Propanenitrile, 3-((4-(2-(2,6-dibromo-4-nitrophenyl)diazenyl)phenyl)ethylamino)-Propanenitrile, 3-[[4-[2-(2,6-dibromo-4-nitrophenyl)diazenyl]phenyl]ethylamino]-RefChem:869052Propanenitrile, 3-4-(2,6-dibromo-4-nitrophenyl)azophenylethylamino-259-563-8
名称をさらに表示
ディスパズ オレンジ６１Yellow Brown RELC.I.Disperse Orange 61C.I.Disperse Orange 61 200%C.I.Disperse Orange 61:C.I.111355Disperse Orange 61 ISO 9001：2015 REACH
602-862-955281-26-012270-45-0Disperse Orange 61 (Technical Grade)3-[4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-ethylanilino]propanenitrileC.I. Disperse Orange 61SCHEMBL12955203SCHEMBL18179601
物性
構造計算による物性
- XLogP
- 5.1
- 極性表面積
- 97.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 6
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 527
物理化学的性質
- CAS データベース
- 12270 · 12270-45-0(CAS DataBase Reference)
- EPAの化学物質情報
- 3 · Propanenitrile, 3-[[4-[(2,6-dibromo-4-nitrophenyl) azo]phenyl]ethylamino]-(12270-45-0)
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 19.1% (29 of 152) of reports.
Warning
H302 (80.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 152 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.
危険有害性情報
Regulatory Information
Chemical: Propanenitrile, 3-[[4-[(2,6-dibromo-4-nitrophenyl)azo]phenyl]ethylamino]-
Hazard Traits - Bioaccumulation; Environmental Persistence
REACH registered substance: 3-[[4-[(2,6-dibromo-4-nitrophenyl)azo]phenyl]ethylamino]propiononitrile (EC: 259-563-8)
Propanenitrile, 3-4-(2,6-dibromo-4-nitrophenyl)azophenylethylamino-: 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 - Propanenitrile, 3-[[4-[(2,6-dibromo-4-nitrophenyl)azo]phenyl]ethylamino]-: Human health tier I assessment
Hazard Classes and Categories
Acute Tox. 4 (80.9%)
Not Classified
化学と産業
用途と製造
General Manufacturing InformationPropanenitrile, 3-[[4-[2-(2,6-dibromo-4-nitrophenyl)diazenyl]phenyl]ethylamino]-: ACTIVE
調製方法
製造方法2,6-Dibromo-4-nitroaniline diazo, and N-ethyl-N-cyanoethylanilinecoupling.
上流・下流製品情報
上流原料
サプライヤー9 社
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海泰坦科技股份有限公司13023226327 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
重庆卡兰医药有限公司[email protected]
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