基本情報
- CAS
12223-97-1- 標準SMILES
CCOc1ccc(Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])cc1- InChIKey
SIFKXZAVMBSRMB-UHFFFAOYSA-N- 分子式
- C16H19N3O5S
- 平均分子量
- 365.4 g/mol
- 単同位体質量
- 365.10454189
名称と識別子
- 優先名称
- Benzenesulfonamide, 4-((4-ethoxyphenyl)amino)-N,N-dimethyl-3-nitro-
- IUPAC
- 4-(4-ethoxyanilino)-N,N-dimethyl-3-nitrobenzenesulfonamide
- 英語名
- C.I. Disperse Yellow 86
- 分子式
- C16H19N3O5S
- 分子量
- 365.40416
名称と別名
disperse yellow 86C.I. Disperse Yellow 8667338-59-44-(4-Ethoxyanilino)-N,N-dimethyl-3-nitrobenzenesulfonamideEINECS 266-648-3Benzenesulfonamide, 4-((4-ethoxyphenyl)amino)-N,N-dimethyl-3-nitro-12223-97-1DTXSID00867271Benzenesulfonamide, 4-[(4-ethoxyphenyl)amino]-N,N-dimethyl-3-nitro-4-((4-Ethoxyphenyl)amino)-N,N-dimethyl-3-nitrobenzenesulphonamide4-[(4-Ethoxyphenyl)amino]-N,N-dimethyl-3-nitrobenzenesulphonamideRefChem:563740
名称をさらに表示
C.I.Disperse Yellow 86:C.I.10353
DTXCID30815467Benzenesulfonamide, 4-(4-ethoxyphenyl)amino-N,N-dimethyl-3-nitro-266-648-3602-359-44-(4-Ethoxyphenyl)amino-N,N-dimethyl-3-nitrobenzenesulphonamideorb2566408SCHEMBL29710713HY-D0611
データベース識別子
- CAS
12223-97-1、67338-59-4- PubChem CID
- 105414
- DTXSID
DTXSID00867271- EC Number
- 266-648-3、602-359-4
物性
構造計算による物性
- XLogP
- 3.3
- 極性表面積
- 113 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 7
- 回転可能結合数
- 6
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 535
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 22.2% (2 of 9) of reports.
Warning
H317 (77.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Benzenesulfonamide, 4-[(4-ethoxyphenyl)amino]-N,N-dimethyl-3-nitro-
REACH registered substance: 4-[(4-ethoxyphenyl)amino]-N,N-dimethyl-3-nitrobenzenesulphonamide (EC: 266-648-3)
Benzenesulfonamide, 4-(4-ethoxyphenyl)amino-N,N-dimethyl-3-nitro-: 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 CategoriesSkin Sens. 1B (77.8%)
化学と産業
用途と製造
General Manufacturing InformationBenzenesulfonamide, 4-[(4-ethoxyphenyl)amino]-N,N-dimethyl-3-nitro-: ACTIVE
調製方法
製造方法4-Ethoxybenzenamine and 4-Chloro-3-nitro-N,N-dimethylbenzenesulfonamidecondensation
サプライヤー2 社
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