基本情報
- CAS
25148-68-9- 標準SMILES
CNc1ccccc1N.Cl.Cl- InChIKey
DKEONVNYXODZRQ-UHFFFAOYSA-N- 分子式
- C7H10N2.2ClH
- 平均分子量
- 195.09 g/mol
- 単同位体質量
- 194.03775374
概要
Crystals (from ethanol); light purple powder. (NTP, 1992)
名称と識別子
- 優先名称
- N-Methyl-o-phenylenediamine dihydrochloride
- IUPAC
- 2-N-methylbenzene-1,2-diamine;dihydrochloride
- 現地名
- N-メチル-1,2-フェニレンジアミン二塩酸塩
- 英語名
- N-Methyl-1,2-benzenediamine dihydrochloride
- 分子式
- C7H12Cl2N2
- 分子量
- 195.09
名称と別名
25148-68-9N-Methyl-1,2-benzenediamine dihydrochlorideN-Methyl-o-phenylenediamine dihydrochloride1,2-Benzenediamine, N-methyl-, dihydrochlorideN-Methyl-1,2-phenylenediamine DihydrochlorideUNII-NML5KQ540IEINECS 246-655-8NML5KQ540IDTXSID50256511-Amino-2-methylaminobenzene DihydrochlorideN-METHYL-1,2-DIAMINOBENZENE DIHYDROCHLORIDEO-PHENYLENEDIAMINE, N-METHYL-, DIHYDROCHLORIDE
名称をさらに表示
N-メチル-1,2-フェニレンジアミン二塩酸塩Nメチル1，2ベンゼンジアミン·二酸N‐メチル‐1，2‐ベンゼンジアミン·二塩酸塩N-メチルベンゼン-1,2-ジアミン二塩酸塩N-メチル-1,2-ベンゼンジアミン二塩酸塩N-メチル-O-フェニレンジアミン, 二塩酸塩phenylene diamine dihydrochlorideN-METHYL-O-PHENLENEDIAMINE DIHYDROCHLORIDEN-Methyl-1,2-benzendiamine dihydrochloride2-METHYLAMINOANILINE HYDROCHLORIDE-o-phenyLN-Methyl-1N-Methyl-1,2-benzeneTelmisartan Impurity 49
RefChem:163776DTXCID605651246-655-8N1-Methylbenzene-1,2-diamine dihydrochloride2-(Methylamino)aniline dihydrochlorideN-Methylbenzene-1,2-diamine dihydrochlorideN-Methyl-o-phenylenediamine, Dihydrochloride1,2-Benzenediamine, N1-methyl-, hydrochloride (1:2)
データベース識別子
- CAS
25148-68-9- PubChem CID
- 91296
- DTXSID
DTXSID5025651- UNII
- NML5KQ540I
- EC Number
- 246-655-8
物性
構造計算による物性
- 極性表面積
- 38.1 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 2
- 回転可能結合数
- 1
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 83
実験および物理化学的性質
Solubilitygreater than or equal to 100 mg/mL at 73 °F (NTP, 1992)
Melting Point376 °F (NTP, 1992)
Physical DescriptionCrystals (from ethanol); light purple powder. (NTP, 1992)
物理化学的性質
- 融点
- 191 °C · 191°C
- 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
- ペールレッドからライトベージュ
- 水溶解度
- 10 g/100 · >=10 g/100 mL at 23 ºC
- InChI
- InChI=1S/C7H10N2.ClH/c1-9-7-5-3-2-4-6(7)8;/h2-5,9H,8H2,1H3;1H
- InChIKey
- IWRJMQUPCKSBFP-UHFFFAOYSA-N
- SMILES
- N(C1C=CC=CC=1N)C.Cl
- CAS データベース
- 25148 · 25148-68-9(CAS DataBase Reference)
- EPAの化学物質情報
- N-Methyl-o-phenylenediamine dihydrochloride (25148-68-9)
化学的性質
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, 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 2 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
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Reactive GroupSalts, Acidic
Reactivity Profile
N-METHYL-O-PHENYLENEDIAMINE DIHYDROCHLORIDE is an acidic salt. Materials in this group are generally soluble in water. The resulting solutions contain moderate concentrations of hydrogen ions and have pH's of less than 7.0. They react as acids to neutralize bases. These neutralizations generate heat, but less or far less than is generated by neutralization of inorganic acids, inorganic oxoacids, and carboxylic acid. They usually do not react as either oxidizing agents or reducing agents but such behavior is not impossible. Many of these compounds catalyze organic reactions.
Air and Water ReactionsWater soluble.
Hazard Classes and CategoriesAcute Tox. 3 (100%)
安全と保護具
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
化学と産業
用途と製造
General Manufacturing Information1,2-Benzenediamine, N1-methyl-, hydrochloride (1:2): INACTIVE
応用分野
使用N-Methyl-o-phenylenediamine, Dihydrochloride (cas# 25148-68-9) is a compound useful in organic synthesis.
一般的な説明Crystals (from ethanol); light purple powder.
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