N-エチル-p-トルイジン
N-Ethyl-p-toluidine
基本情報
- CAS
622-57-1- 標準SMILES
CCNc1ccc(C)cc1- InChIKey
AASABFUMCBTXRL-UHFFFAOYSA-N- 分子式
- C9H13N
- 平均分子量
- 135.21 g/mol
- 単同位体質量
- 135.10479942
概要
N-ethyl-p-toluidine appears as a dark colored liquid with an aromatic odor. Insoluble in water and about the same density as water. Toxic by skin absorption and inhalation of vapors. Toxic fumes may evolve during combustion.
名称と識別子
- 優先名称
- N-Ethyl-p-toluidine
- IUPAC
- N-ethyl-4-methylaniline
- 現地名
- N-エチル-p-トルイジン
- 英語名
- N-Ethyl-p-toluidine
- 分子式
- C9H13N
- 分子量
- 135.21
名称と別名
N-Ethyl-p-toluidineN-Ethyl-4-methylaniline622-57-1N-Ethyl-p-methylanilineN-Ethyl-4-toluidineBENZENAMINE, N-ETHYL-4-METHYL-p-Methyl-N-ethylanilinep-Toluidine, N-ethyl-NSC 8889W991US1LF2N-ETHYL-4-METHYLBENZENAMINENSC-8889
名称をさらに表示
N-エチル-p-トルイジンN-エチル-4-メチルベンゼンアミン4-メチル-N-エチルアニリンN-エチル-4-メチルアニリンエチルパラトルイジンＮエチルｐトルイジン4-(エチルアミノ)トルエンN-エチル-4-トルイジンN-エチル-p-メチルアニリン4-メチルフェニルエチルアミンEthyltoluidinen-ethyltoluidines4-EthylaminotoluolEthyltoluidine,98%4-(Ethylamino)tolueneN-ETHYL-PARA-TOLUIDINE
EINECS 210-742-9DTXSID7060754ethyl toluidineRefChem:829979p-Toluidine, N-ethyl-(8CI)DTXCID5043269210-742-9N-ETHYLTOLUIDINE
データベース識別子
- CAS
622-57-1、73268-91-4- PubChem CID
- 61164
- DTXSID
DTXSID7060754- UNII
- W991US1LF2
- EC Number
- 210-742-9
- Nikkaji
- J47.803B
物性
構造計算による物性
- XLogP
- 2.5
- 極性表面積
- 12 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 2
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 82.7
実験および物理化学的性質
SpringerMaterials PropertiesViscosity
Physical DescriptionN-ethyl-p-toluidine appears as a dark colored liquid with an aromatic odor. Insoluble in water and about the same density as water. Toxic by skin absorption and inhalation of vapors. Toxic fumes may evolve during combustion.
物理化学的性質
- 融点
- -6.87 °C · -6.87°C (estimate)
- 沸点
- 222 °C · 222 °C
- 比重(密度)
- 0 · 0,94 g/cm3
- 屈折率
- 1.543 · 1.5430-1.5450
- 闪点
- 93 °C · 93°C
- 溶解性
- soluble in Alcohol,Ether
- 外見
- clear liquid
- 酸解離定数(Pka)
- 5.67 · 5.67±0.32(Predicted)
- 色
- Light yellow to Yellow to Orange
- InChI
- InChI=1S/C9H13N/c1-3-10-9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3
- InChIKey
- AASABFUMCBTXRL-UHFFFAOYSA-N
- SMILES
- C1(NCC)=CC=C(C)C=C1
- CAS データベース
- 622 · 622-57-1(CAS DataBase Reference)
- NISTの化学物質情報
- N-Ethyl-p-toluidine(622-57-1)
- EPAの化学物質情報
- -4 · Benzenamine, N-ethyl-4-methyl- (622-57-1)
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
Danger
H300 (18.8%): Fatal if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 16 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
DOT LabelPoison
Fire HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Reactive GroupAmines, Aromatic
Reactivity Profile
N-ETHYL-P-TOLUIDINE is an aromatic amine. 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. Light sensitive
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 2 (18.8%)
安全と保護具
Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
First AidExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
安全データ
- tsca
- TSCA listed
- ridadr
- 2754
- hs_code
- 2921.43.9090
- risk_code
- 20/21/22-36/37/38
- 化審法
- (3)-187, (3)-193
- 消防法
- 危-4-3-III
- safety_code
- 23-36/37/39
- hazard_class
- 6.1
- packing_group
- II
- 毒劇物取締法
- 劇物
化学と産業
用途と製造
General Manufacturing InformationBenzenamine, N-ethyl-4-methyl-: ACTIVE
応用分野
用途有機合成原料。
一般的な説明A dark colored liquid with an aromatic odor. Insoluble in water and about the same density as water. Toxic by skin absorption and inhalation of vapors. Toxic fumes may evolve during combustion.
関連反応
2 件
化合物ノート
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