基本情報
- CAS
2051-79-8- 標準SMILES
CCN(CC)c1ccc(N)c(C)c1.Cl- InChIKey
MPLZNPZPPXERDA-UHFFFAOYSA-N- 分子式
- C11H18N2.ClH
- 平均分子量
- 214.73 g/mol
- 単同位体質量
- 214.12367629
名称と識別子
- 優先名称
- N,N-Diethyltoluene-2,5-diamine hydrochloride
- IUPAC
- 4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;hydrochloride
- 現地名
- 2-アミノ-5-(ジエチルアミノ)トルエン一塩酸塩
- 英語名
- 4-(N,N-Diethyl)-2-methyl-p-phenylenediamine monohydrochloride
- 分子式
- C11H19ClN2
- 分子量
- 214.74
名称と別名
名称をさらに表示
データベース識別子
- CAS
2051-79-8、24828-38-4- PubChem CID
- 108623
- DTXSID
DTXSID1038799- UNII
- 39MIH70E0I
- EC Number
- 218-130-3、246-484-9
物性
構造計算による物性
- 極性表面積
- 29.3 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 2
- 回転可能結合数
- 3
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 143
実験および物理化学的性質
物理化学的性質
- 融点
- 250 °C · 250 °C (dec.)(lit.)
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 溶解性
- DMSO(微量)、メタノール(微量)
- 外見
- 個体
- 色
- ホワイトからオフホワイト
- 水溶解度
- ほとんど透明
- 安定性
- Stable under normal conditions., Stable Under Normal Conditions.
- 化粧品成分の機能
- ヘアカラーリング
- InChI
- InChI=1S/C11H18N2.ClH/c1-4-13(5-2)10-6-7-11(12)9(3)8-10;/h6-8H,4-5,12H2,1-3H3;1H
- InChIKey
- MPLZNPZPPXERDA-UHFFFAOYSA-N
- SMILES
- N(C1C=CC(N)=C(C)C=1)(CC)CC.Cl
- CAS データベース
- 2051 · 2051-79-8(CAS DataBase Reference)
- NISTの化学物質情報
- 2 · 2-Amino-5-diethylamino-toluene monohydrochloride(2051-79-8)
- EPAの化学物質情報
- 2 · 2-Amino-5-diethylaminotoluene monohydrochloride (2051-79-8)
化学的性質
化学的特性White to grey white crystal
安全と法規制
GHS分類
GHS Classification
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: 1,4-Benzenediamine, N4,N4-diethyl-2-methyl-, monohydrochloride
1,4-Benzenediamine, N4,N4-diethyl-2-methyl-, monohydrochloride: Does not have an individual approval but may be used under an appropriate group standard
4-Diethylamino-o-toluidine hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Can cause skin sensitization; [Marks] May form explosive dust-air mixtures; An eye irritant; Prolonged or repeated skin exposure may cause drying, cracking, or irritation; May cause skin sensitization (positive results in human test); May cause liver injury, based on animal studies (targets liver in repeated-dose oral studies of rats); Harmful by ingestion and inhalation; [Kodak MSDS]
Hazard Classes and Categories
Acute Tox. 3 (100%)
Acute toxicity - category 3
Acute Tox. 3 *
毒性情報
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SS9560000
- ridadr
- UN 2811 6.1/PG 3
- 毒性
- LD50 oral in rat: 200mg/kg
- hs_code
- 29215990
- risk_code
- 23/24/25-43-50/53-36-25
- 化審法
- (3)-279
- hazard_code
- T,N
- safety_code
- 22-26-36/37/39-45-61-60-37-24
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard Classifications
- Acute Tox. 3 OralAcute Tox. 4 DermalAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Sens. 1
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
用途と製造
Uses
Used as professional photographic processing chemical; [Kodak MSDS]
Photographic Processing [Category: Other]
応用分野
説明CD2 is a color-film developer. It acts as an allergen and an irritant in photographers. Cross reaetivity is possible with Disperse Blue 124, Disperse Blue 106, and Disperse red 17, but not to para-amino Compounds.
使用4-(N,N-Diethyl)-2-Methyl-p-Phenylenediamine Monohydrochloride (cas# 2051-79-8) was identified by HPLC in oxidative hair dye products.
上流・下流製品情報
上流原料
サプライヤー100 社
関連反応
化合物ノート
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