基本情報
- 標準SMILES
Nc1cc(Cl)c(NCCO)cc1[N+](=O)[O-]- InChIKey
QNJWQAYYVNKOKR-UHFFFAOYSA-N- 分子式
- C8H10ClN3O3
- 平均分子量
- 231.63 g/mol
- 単同位体質量
- 231.0410689
名称と識別子
- 優先名称
- 2-((4-Amino-2-chloro-5-nitrophenyl)amino)ethanol
- IUPAC
- 2-(4-amino-2-chloro-5-nitroanilino)ethanol
- 現地名
- 2-[(4-アミノ-2-クロロ-5-ニトロフェニル)アミノ]エタノール
- 英語名
- 2-Chloro-5-nitro-N-hydroxyethyl p-phenylenediamine
- 分子式
- C8H10ClN3O3
- 分子量
- 231.64
名称と別名
50610-28-1EINECS 256-652-32-((4-Amino-2-chloro-5-nitrophenyl)amino)ethanolEthanol, 2-((4-amino-2-chloro-5-nitrophenyl)amino)-2-[(4-AMINO-2-CHLORO-5-NITROPHENYL)AMINO]ETHANOLEthanol, 2-[(4-amino-2-chloro-5-nitrophenyl)amino]-2-Nitro-5-chloro-N-(2-hydroxyethyl) p-phenylendiamineRefChem:448821Ethanol, 2-(4-amino-2-chloro-5-nitrophenyl)amino-2-Chloro-5-nitro-N-hydroxyethyl p-phenylenediamine2-(4-amino-2-chloro-5-nitroanilino)ethanol2-chloro-5-nitro-n-hydroxyethyl-p-phenylenediamine
名称をさらに表示
2-[(4-アミノ-2-クロロ-5-ニトロフェニル)アミノ]エタノール2-[(4-アミノ-2-クロロ-5-ニトロフェニル)アミノ]エタン-1-オール2-[(4-amino-2-chloro-5-nitrophenyl)amino]-Ethanol1-AMINO-2-NITRO-4-HYDROXYETHYLAMINE-5-CHLOROBENZENE2-CHLORO-5-NITRO-N-HYDROXYETHYL-PARA-PHENYLENEDIAMINE
12M0RVW0182-Chloro-5-nitro-n-hydroxyethylp-phenylenediamineUNII-12M0RVW018starbld0009823SCHEMBL23909SCHEMBL29378395DTXSID90866157NS00013453
データベース識別子
- CAS
50610-28-1- PubChem CID
- 5490271
- DTXSID
DTXSID90866157- UNII
- 12M0RVW018
- EC Number
- 256-652-3
- Nikkaji
- J261.556H
物性
構造計算による物性
- XLogP
- 1.5
- 極性表面積
- 104 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 5
- 回転可能結合数
- 3
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 224
物理化学的性質
- 融点
- 130 °C · 130 °C
- 沸点
- 461.2 · 461.2±45.0 °C(Predicted)
- 比重(密度)
- 1.554 · 1.554±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 14.52 · 14.52±0.10(Predicted)
- 化粧品成分の機能
- ヘアカラーリング
安全と法規制
GHS分類
GHS Classification
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: Ethanol, 2-[(4-amino-2-chloro-5-nitrophenyl)amino]-
Ethanol, 2-(4-amino-2-chloro-5-nitrophenyl)amino-: 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 - Ethanol, 2-[(4-amino-2-chloro-5-nitrophenyl)amino]-: Human health tier II assessment
Hazard Classes and CategoriesSkin sensitisation - category 1
法規制情報
Regulatory Information
Chemical: Ethanol, 2-[(4-amino-2-chloro-5-nitrophenyl)amino]-
Ethanol, 2-(4-amino-2-chloro-5-nitrophenyl)amino-: 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.
化学と産業
用途と製造
Use ClassificationCosmetics -> Hair dyeing
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関連反応
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関連ノート
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