N-Phenyldiethanolamine

Base Information

• Chemical Name: N-Phenyldiethanolamine
• CAS No.: 120-07-0
• Molecular Formula: C10H15 N O2
• Molecular Weight: 181.235
• Hs Code.: 29221980
• European Community (EC) Number: 204-368-5
• NSC Number: 6327
• UNII: VE25V5K077
• DSSTox Substance ID: DTXSID5021962
• Nikkaji Number: J44.125B
• Wikidata: Q27291780
• ChEMBL ID: CHEMBL3188755
• Mol file: 120-07-0.mol

Synonyms:N-Phenyldiethanolamine;120-07-0;2,2'-(Phenylimino)diethanol;N-Phenyl diethanolamine;Diethanolaniline;PHENYLDIETHANOLAMINE;N,N-Diethanolaniline;Diethanolphenylamine;Diethanolaminobenzene;Phenyl diethanolamine;Ethanol, 2,2'-(phenylimino)bis-;N,N-Dioxyethylaniline;N,N-Dihydroxyethylaniline;Phenylbis(2-hydroxyethyl)amine;N,N-Bis(2-hydroxyethyl)aniline;2-[N-(2-hydroxyethyl)anilino]ethanol;N-Phenyl-N,N-diethanolamine;2,2'-(Phenylamino)diethanol;Emery 5703;N,N-Di(2-hydroxyethyl)aniline;2,2'-(phenylazanediyl)diethanol;2,2'-Phenyliminodiethanol;Dihydroxyethylaniline;N,N-Bis(beta-hydroxyethyl)aniline;Ethanol, 2,2'-(phenylimino)di-;NSC 6327;Di(hydroxyethyl)aniline;N,N-Di(beta-hydroxyethyl)aniline;(Bis(2-hydroxyethyl)amino)benzene;2-[(2-hydroxyethyl)(phenyl)amino]ethan-1-ol;EINECS 204-368-5;2,2-(Phenylimino)diethanol;BRN 2096832;UNII-VE25V5K077;AI3-01739;2,2/'-(Phenylimino)diethanol;DTXSID5021962;[Bis(2-hydroxyethyl)amino]benzene;VE25V5K077;NSC-6327;N,N-Di(.beta.-hydroxyethyl)aniline;N,N-Bis(.beta.-hydroxyethyl)aniline;MFCD00002845;Anilinodiethanol;N-Phnyldithanolamine;N-phenyldiethanol amine;Maybridge1_000066;N,N-Dihydroxyethyl aniline;MixCom1_000110;Oprea1_106708;SCHEMBL78451;N-Phenyldiethanolamine, 97%;Ethanol,2'-(phenylimino)di-;Ethanol,2'-(phenylimino)bis-;N-Phenyl-2,2'-iminodiethanol;2,2\'-(Phenylimino)diethanol;DTXCID501962;WLN: Q2NR & 2Q;CHEMBL3188755;n,n-bis(2-hydroxyethyl)-aniline;DIETHANOLAMINE, N-PHENYL-;NSC6327;CHEBI:194838;Etanol, 2,2'-(fenilimino) bis-;ADAL1018015;Tox21_301523;AKOS000268987;CS-W017150;2-[(2-hydroxyethyl)anilino]ethan-1-ol;2,2'-(PHENYLIMINO)BIS(ETHANOL);NCGC00255359-01;3-PHENYL-3-AZAPENTANE-1,5-DIOL;AC-11088;CAS-120-07-0;LS-67021;FT-0689173;P0187;2-((2-HYDROXYETHYL)PHENYLAMINO)ETHANOL;D78164;EN300-383883;4-Chloromethyl-2-(2-fluorophenyl)-5-methyloxazole;W-108487;Q27291780;Z336079346

Chemical Property of N-Phenyldiethanolamine

Chemical Property:

• Appearance/Colour: pale yellow crystal
• Vapor Pressure: <0.01 mm Hg ( 20 °C)
• Melting Point: 56 - 58 C
• Refractive Index: 1.5464 (estimate)
• Boiling Point: 178 C
• PKA: 14.31±0.10(Predicted)
• Flash Point: 200 ºC
• PSA: 43.70000
• Density: 1.165g/cm³
• LogP: 0.47760
• Storage Temp.: Store below +30°C.
• Sensitive.: Air Sensitive & Hygroscopic
• Solubility.: 3g/l
• Water Solubility.: 45 g/L (20 ºC)
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 181.110278721
• Heavy Atom Count: 13
• Complexity: 118

Purity/Quality:

99.9% ^*data from raw suppliers

N-Phenyldiethanolamine >98.0%(T) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-41-48/20/21/22-37/38
• Safety Statements: 26-39-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Ethanolamines
• Canonical SMILES: C1=CC=C(C=C1)N(CCO)CCO
• Uses: N-Phenyldiethanolamine can be used for hair coloring agents. It can also be used as a resin composition and can be used to produce cured film and semiconductor device.

Technology Process of N-Phenyldiethanolamine

There total 20 articles about N-Phenyldiethanolamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

iodobenzene (591-50-4) + 2,2'-iminobis[ethanol] (111-42-2) → 2,2'-(phenylimino)bis[ethanol] (120-07-0)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; at 100 ℃; for 3h;

DOI:10.1246/cl.151097

Reference yield: 87.0%

aniline (62-53-3) + 2-chloro-ethanol (107-07-3) → 2,2'-(phenylimino)bis[ethanol] (120-07-0)

Guidance literature:

With sodium hydroxide; at 100 ℃; for 72h;

DOI:10.1080/10587259408039194

Reference yield: 85.0%

oxirane (75-21-8,99932-75-9) + aniline (62-53-3) → 2,2'-(phenylimino)bis[ethanol] (120-07-0)

Guidance literature:

With water; propionic acid; at 0 - 10 ℃;

DOI:10.1515/znb-2011-0910

upstream raw materials:

oxirane

aniline

ethylene glycol

2-chloro-ethanol

Downstream raw materials:

N'-{4-[bis-(2-hydroxy-ethyl)-amino]-benzylidene}-N,N-bis-(2-hydroxy-ethyl)-p-phenylenediamine

N,N-bis-(2-propionyloxy-ethyl)-aniline

N,N-bis-(2-butyryloxy-ethyl)-aniline

2,2'-[4-(3,5-dimethyl-isoxazol-4-ylazo)-phenylazanediyl]-bis-ethanol

Refernces

• 1、 Zhang, Qiong,Luo, Lei,Xu, Hong,Hu, Zhangjun,Brommesson, Caroline,Wu, Jieying,Sun, Zhaoqi,Tian, Yupeng,Uvdal, Kajsa. "Design, synthesis, linear and nonlinear photophysical properties of novel pyrimidine-based imidazole derivatives". . p. 3456 - 3463. Retrieved 2016.
• 2、 Hrishikesan, Elango,Manjunath, Rangasamy,Kannan, Palaninathan. "A Bis-Quinoline Appended Azobenzene Based Naked Eye Sensor for Selective Detection of Cd2+ Ion". . p. 907 - 919. Retrieved 2016.
• 3、 Pola, Murali Krishna,Ramakrishnam Raju, Mandapati V.,Lin, Chein-Ming,Putikam, Raghunath,Lin, Ming-Chang,Epperla, Chandra Prakash,Chang, Huan-Cheng,Chen, San-Yuan,Lin, Hong-Cheu. "A fully-aqueous red-fluorescent probe for selective optical sensing of Hg2+ and its application in living cells". . p. 256 - 265. Retrieved 2016.
• 4、 Cheung, Sin-Man,Chan, Wing-Hong. "Hg2+ sensing in aqueous solutions: an intramolecular charge transfer emission quenching fluorescent chemosensors". . p. 8379 - 8383. Retrieved 2006.
• 5、 -. "Fluorescent probe molecule for detecting azo reductase based on coumarin derivative as well as preparation method and application of fluorescent probe molecule". Paragraph 0083; 0086. . Retrieved 2021/07/17.
• 6、 -. "METALLOENZYME INHIBITOR COMPOUNDS". Page/Page column 146-147. . Retrieved 2018/09/28.