基本情報
- CAS
3077-12-1- 標準SMILES
Cc1ccc(N(CCO)CCO)cc1- InChIKey
JUVSRZCUMWZBFK-UHFFFAOYSA-N- 分子式
- C11H17NO2
- 平均分子量
- 195.26 g/mol
- 単同位体質量
- 195.12592879
名称と識別子
- 優先名称
- N,N-Bis(2-hydroxyethyl)-p-toluidine
- IUPAC
- 2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol
- 現地名
- p-トリルジエタノールアミン
- 英語名
- 2,2'-(P-TOLYLIMINO)DIETHANOL
- 分子式
- C11H17NO2
- 分子量
- 195.26
名称と別名
3077-12-1N,N-Bis(2-hydroxyethyl)-p-toluidineN,N-Bis(2-hydroxyethyl)-4-toluidineEthanol, 2,2'-[(4-methylphenyl)imino]bis-R00STP10PRNSC-103354N,N-Dihydroxyethyl-p-toluidineEthanol, 2,2'-((4-methylphenyl)imino)bis-DHEPT cpdRefChem:822141221-359-12,2'-(p-Tolylimino)diethanol
名称をさらに表示
p-トリルジエタノールアミン2,2'-(p-トリルイミノ)ビスエタノールN,N-ビス(2-ヒドロキシエチル)-p-トルイジンN,N-ビス(2-ヒドロキシエチル)-4-メチルベンゼンアミン2,2'-(4-メチルフェニルイミノ)ビス(エタノール)2,2'-[(4-メチルフェニル)イミノ]ビスエタノール2,2'-(p-トリルイミノ)ジエタノールN,N-ジ(2-ヒドロキシエチル)-p-トルイジン2,2'-(4-メチルフェニルイミノ)ビスエタノールN,N-ビス(2-ヒドロキシエチル)パラトルイジンエトキシル-p-トルイジン過酸化物2,2'-(4-メチルフェニルイミノ)ジエタノールジヒドロキシエチルトルイジン2,2′-(4-メチルフェニルイミノ)ジエタノールDHETN,N-DIHYDROXYETHYL-P-TOLUIDINE(DHPT)2,2'-(P-TOLYLIMINO)D-(P-TOLYLIMINO)DIETHANOLN-(P-TOLYL)DIETHANOLAMINEN,N-dioxyethyl-p-toluidine
2,2'-(p-Tolylazanediyl)diethanolp-TolyldiethanolamineDiethylol-p-toluidineN,N-Diethanol-p-toluidine2,2'-[(4-methylphenyl)imino]diethanolN-(4-Methylphenyl)diethanolamine2,2'-(4-Methylphenylimino)diethanolN,N-Di(2-hydroxyethyl)-para-toluidine
データベース識別子
- CAS
3077-12-1- PubChem CID
- 76497
- DTXSID
DTXSID0044650- ChEMBL
CHEMBL3189033- UNII
- R00STP10PR
- EC Number
- 221-359-1
- Nikkaji
- J150.382K
物性
構造計算による物性
- XLogP
- 1
- 極性表面積
- 43.7 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
- 5
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 138
実験および物理化学的性質
Vapor Pressure0.00000073 [mmHg]
Physical DescriptionWhite powder with a slight odor; [3M MSDS]
Collision Cross Section
141.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID0044650]；151.0 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0044650]；143.4 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0044650]
物理化学的性質
- 融点
- 49 · 49-53 °C (lit.)
- 沸点
- 338 · 338-340 °C (lit.)
- 比重(密度)
- 1.0654 · 1.0654 (rough estimate)
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 屈折率
- 1.533 · 1.5330 (estimate)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 溶解性
- soluble in Methanol
- 外見
- powder to lump to clear liquid
- 酸解離定数(Pka)
- 14.33 · 14.33±0.10(Predicted)
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
This chemical does not meet GHS hazard criteria for 5.6% (21 of 372) of reports.
Danger
H302 (88.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (18.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (46%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (74.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (18%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H412 (46.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 372 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 21 of 372 reports by companies.；There are 10 notifications provided by 351 of 372 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory Information
Chemical: Ethanol, 2,2'-[(4-methylphenyl)imino]bis-
Status: Active Update: 04-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27362
Ethanol, 2,2'-[(4-methylphenyl)imino]bis-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses flaccid paralysis without anesthesia (usually neuromuscular blockage), ataxia, and respiratory depression in oral lethal-dose studies of rodents; [RTECS] A moderate eye irritant; May induce methemoglobinemia; [3M MSDS] See Toluidine.
化学と産業
用途と製造
UsesLysosome stabilizing agent. [ChemIDplus] Used as an accelerator and intermediate; [3M MSDS]
General Manufacturing InformationEthanol, 2,2'-[(4-methylphenyl)imino]bis-: ACTIVE
応用分野
用途有機合成原料。
使用Emulsifier, dyestuff intermediate.
サプライヤー100 社
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Changzhou Carman Chemical Co., Ltd.15061933924
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]
天津中信凯泰化工有限公司
関連反応
2 件
化合物ノート
読み込み中…