基本情報
- CAS
28434-86-8- 標準SMILES
Nc1ccc(Oc2ccc(N)c(Cl)c2)cc1Cl- InChIKey
IVVWBIJMWBNKFV-UHFFFAOYSA-N- 分子式
- C12H10Cl2N2O
- 平均分子量
- 269.12 g/mol
- 単同位体質量
- 268.0170183
概要
3,3'-Dichloro-4,4'-diamino-diphenyl Ether can cause cancer according to an independent committee of scientific and health experts.
名称と識別子
- 優先名称
- 4,4'-Oxybis(2-chlorobenzenamine)
- IUPAC
- 4-(4-amino-3-chlorophenoxy)-2-chloroaniline
- 現地名
- ビス(4-アミノ-3-クロロフェニル)エーテル
- 英語名
- 33DICHLORO44DIAMINODIPHENYLETHER
- 分子式
- C12H10Cl2N2O
- 分子量
- 269.13
名称と別名
3,3'-Dichloro-4,4'-diaminodiphenyl ether4,4'-Oxybis(2-chloroaniline)28434-86-8Bis(4-amino-3-chlorophenyl) etherAniline, 4,4'-oxybis(2-chloro-4,4'-Oxybis(2-chlorobenzenamine)Benzenamine, 4,4'-oxybis(2-chloro-87Z64NH7YXDTXSID5074842Benzenamine, 4,4'-oxybis[2-chloro-4,4'-Oxybis[2-chlorobenzenamine]RefChem:90674
名称をさらに表示
ビス(4-アミノ-3-クロロフェニル)エーテル３，３’－ジクロロ－４，４’－ジアミノジフェニルエーテル3,3'-ジクロロ-4,4'-ジアミノジフェニルエーテル３，３’ジクロロ４，４’ジアミノジフェニルエテル4,4'-オキシビス(2-クロロアニリン)4-(4-アミノ-3-クロロフェノキシ)-2-クロロアニリン4,4''-OXYBIS(2-CHLOROANILINE)4-(4-amino-3-chloro-phenoxy)-2-chloro-aniline
DTXCID50378184-(4-amino-3-chlorophenoxy)-2-chloroaniline33DICHLORO44DIAMINODIPHENYLETHERCCRIS 2224,4'-Oxybis(2-chloro-benzenamine)Ether, bis(4-amino-3-chlorophenyl)3,3'-Dichlor-4,4'-diamino-diphenylaether [German]3,3'-Dichlor-4,4'-diamino-diphenylaether
データベース識別子
物性
構造計算による物性
- XLogP
- 3.3
- 極性表面積
- 61.3 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 2
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 231
実験および物理化学的性質
Chemical ClassesCarcinogens
Melting Point262 to 264 °F (NTP, 1992)
物理化学的性質
- 沸点
- 411.4 · 411.4±45.0 °C(Predicted)
- 比重(密度)
- 1.4179 · 1.4179 (rough estimate)
- 屈折率
- 1.549 · 1.5490 (estimate)
- 酸解離定数(Pka)
- 3.5 · 3.50±0.10(Predicted)
- EPAの化学物質情報
- 3 · 3,3'-Dichloro-4,4'-diaminodiphenyl ether (28434-86-8)
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
Warning
H351: Suspected of causing cancer [Warning Carcinogenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Hazard Traits - Carcinogenicity
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: There is sufficient evidence that this chemical is an animal carcinogen. When heated to decomposition it emits toxic fumes of chlorine and nitrogen oxides. (NTP, 1992)
Reactive GroupEthers
Reactivity Profile
3,3'-DICHLORO-4,4'-DIAMINODIPHENYL ETHER is an amine/ether. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and Categories
Carcinogenicity - Category 2
化学と産業
応用分野
用途成中間体 農薬全般(中間体を含む)
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