N-Phenyldiethanolamine supplier

Name
2,2'-(Phenylimino)diethanol
EINECS 204-368-5
CAS No. 120-07-0
Article Data50
CAS DataBase
Density 1.165g/cm³
Solubility AUTOIGNITION <
Melting Point 56 - 58 C
Formula C10H15 N O2
Boiling Point 178 C
Molecular Weight 181.235
Flash Point 200 ºC
Transport Information 25kgs
Appearance pale yellow crystal
Safety Moderately toxic by ingestion. A severe eye and mild skin irritant. When heated to decomposition it emits toxic fumes of NO_x. See also AROMATIC AMINES.
Risk Codes R22;R41
Molecular Structure
Hazard Symbols
Synonyms Ethanol,2,2'-(phenylimino)di- (6CI,7CI,8CI); 2,2'-(Phenylamino)diethanol;2,2'-(Phenylimino)bis(ethanol); 2,2'-(Phenylimino)diethanol;2-[(2-Hydroxyethyl)phenylamino]ethanol; 3-Phenyl-3-azapentane-1,5-diol;Diethanolaminobenzene; Diethanolaniline; Diethanolphenylamine;N,N-Bis(2-hydroxyethyl)-N-phenylamine; N,N-Bis(2-hydroxyethyl)aniline; N,N-Bis(b-hydroxyethyl)aniline; N,N-Di(2-hydroxyethyl)aniline;N,N-Di(b-hydroxyethyl)aniline;N,N-Diethanolaniline; N,N-Dihydroxyethylaniline; N-Phenyl-N,N-diethanolamine;N-Phenyldiethanolamine; N-Phenyliminodiethanol; NSC 6327;Phenylbis(2-hydroxyethyl)amine; Phenyldiethanolamine; [Bis(2-hydroxyethyl)amino]benzene
PSA 43.70000
LogP 0.47760

Synthetic route

: 591-50-4
iodobenzene

: 111-42-2
2,2'-iminobis[ethanol]

: 120-07-0
2,2'-(phenylimino)bis[ethanol]

Conditions

Conditions	Yield
With potassium hydroxide In dimethyl sulfoxide at 100℃; for 3h;	95%

: 62-53-3
aniline

: 107-07-3
2-chloro-ethanol

: 120-07-0
2,2'-(phenylimino)bis[ethanol]

Conditions

Conditions	Yield
With sodium hydroxide at 100℃; for 72h;	87%
With calcium carbonate; potassium iodide In water for 8h; Reflux;	86%
With calcium carbonate; potassium iodide In water for 8h; Reflux; Inert atmosphere; Schlenk technique;	86%

: 75-21-8
oxirane

: 62-53-3
aniline

: 120-07-0
2,2'-(phenylimino)bis[ethanol]

Conditions

Conditions	Yield
With water; propionic acid at 0 - 10℃;	85%
at 80 - 90℃; im Rohr;
at 80 - 90℃;

: 96-49-1
[1,3]-dioxolan-2-one

: 62-53-3
aniline

A: 120-07-0
2,2'-(phenylimino)bis[ethanol]

B: 122-98-5
2-Anilinoethanol

Conditions

Conditions	Yield
With tri-i-butyl(methyl)phosphonium tosylate at 170℃; for 8h; Ionic liquid; Neat (no solvent);	A 74% B n/a
With Na-Y zeolite In Triethylene glycol dimethyl ether at 160℃; for 2h;	A 19% B 63%
In neat (no solvent) at 140℃; for 14h;

...Expand

: 67-56-1
methanol

: 50-00-0
formaldehyd

: 62-53-3
aniline

A: 120-07-0
2,2'-(phenylimino)bis[ethanol]

B: 122-98-5
2-Anilinoethanol

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; titanium(III) chloride at 20℃; for 0.5h; Acidic aq. solution; Inert atmosphere;	A 15% B 30%

...Expand

: 55932-12-2
phenyliminodiacetic acid diethyl ester

: 120-07-0
2,2'-(phenylimino)bis[ethanol]

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran Ambient temperature;	26%
With lithium aluminium tetrahydride In tetrahydrofuran at 80℃; for 2h;

: 19798-81-3
2-Amino-6-bromopyridine

: 882521-96-2
pyridine-2-boronic acid N-phenyldiethanolamine ester

A: 178039-84-4
6-amino-2-2’-pyridylbipyridine

B: 120-07-0
2,2'-(phenylimino)bis[ethanol]

Conditions

Conditions	Yield
With copper(l) iodide; tetrakis(triphenylphosphine) palladium(0); potassium carbonate In tetrahydrofuran for 24h; Suzuki-Miyaura cross-coupling; Reflux; Inert atmosphere;

...Expand

: 13534-97-9
6-bromopyridine-3-amine

: 882521-96-2
pyridine-2-boronic acid N-phenyldiethanolamine ester

A: 120-07-0
2,2'-(phenylimino)bis[ethanol]

B: 160539-04-8
[2,2’-bipyridin]-5-amine

Conditions

Conditions	Yield
With copper(l) iodide; tetrakis(triphenylphosphine) palladium(0); potassium carbonate In tetrahydrofuran for 24h; Suzuki-Miyaura cross-coupling; Reflux; Inert atmosphere;

...Expand

: 96-49-1
[1,3]-dioxolan-2-one

: 122-98-5
2-Anilinoethanol

A: 124-38-9
carbon dioxide

B: 120-07-0
2,2'-(phenylimino)bis[ethanol]

Conditions

Conditions	Yield
at 140℃; Kinetics; Neat (no solvent); chemospecific reaction;

...Expand

: 67-56-1
methanol

: 67-64-1
acetone

: 100-61-8
N-methylaniline

A: 120-07-0
2,2'-(phenylimino)bis[ethanol]

B: 1413925-42-4
C11H17NO

C: 93-90-3
N-(2-hydroxyethyl)-N-methylaminobenzene

D: 122-98-5
2-Anilinoethanol

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; titanium tetrachloride; zinc In water at 20℃; Inert atmosphere;	A n/a B 20 %Spectr. C n/a D n/a

...Expand

: 120-07-0
2,2'-(phenylimino)bis[ethanol]

: 18162-48-6
tert-butyldimethylsilyl chloride

: 148717-08-2
N,N-bis[2-[(1-tert-butyl-1,1-diemthylsilyl)oxy]ethyl]-N-phenylamine

Conditions

Conditions	Yield
With 1H-imidazole In dichloromethane for 5h;	100%

: 120-07-0
2,2'-(phenylimino)bis[ethanol]

: 106-96-7
propargyl bromide

: 1202493-52-4
N,N-bis(2-(prop-2-ynyloxy)ethyl)aniline

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydroxide In water; toluene at 20℃; for 24h;	100%
With tetrabutylammomium bromide; sodium hydroxide In water; toluene at 20℃; for 3h;	96%
With sodium hydride In N,N-dimethyl-formamide; toluene; mineral oil at 0 - 20℃; for 1h; Inert atmosphere;	72%
With tetrabutylammomium bromide; potassium hydroxide In dimethyl sulfoxide at 60℃; for 24h;	55%
With potassium hydroxide In dimethyl sulfoxide at 50℃; for 120h;

: 120-07-0
2,2'-(phenylimino)bis[ethanol]

: 124-63-0
methanesulfonyl chloride

: 22964-38-1
N,N-bis<2-<(methylsulfonyl)oxy>ethyl>aniline

Conditions

Conditions	Yield
With triethylamine In chloroform at 0℃; for 1h;	99.6%
With triethylamine In dichloromethane at 20℃; for 1h;	96.4%
With triethylamine In ethyl acetate at 20℃; for 1h;	89%

: 120-07-0
2,2'-(phenylimino)bis[ethanol]

: 13165-33-8
1-bromo-4-benzene

Conditions

Conditions	Yield
With methanol; tetraethylammonium chloride; bromine In dichloromethane at 35℃;	99%
With periodic acid; sodium bromide In water at 20℃; for 0.166667h; regioselective reaction;	93%
With N-Bromosuccinimide In dichloromethane at 20℃; for 24h; Darkness;	89%

: 120-07-0
2,2'-(phenylimino)bis[ethanol]

: 69739-34-0
t-butyldimethylsiyl triflate

: 148717-08-2
N,N-bis[2-[(1-tert-butyl-1,1-diemthylsilyl)oxy]ethyl]-N-phenylamine

Conditions

Conditions	Yield
With 2,6-dimethylpyridine In dichloromethane at -80 - 20℃; for 1h; silylation;	99%

: 120-07-0
2,2'-(phenylimino)bis[ethanol]

: 75-36-5
acetyl chloride

: 19249-34-4
bis(2-acetoxyethyl)aniline

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 35℃; for 15h;	99%
With triethylamine In tetrahydrofuran	98%
With triethylamine In dichloromethane at 20 - 25℃; for 2h; Cooling with ice;	96%

: 120-07-0
2,2'-(phenylimino)bis[ethanol]

: 14254-05-8, 26306-46-7, 130287-64-8
tin(II) n-butoxide

: 5-phenyl-(2,8-dioxa-5-aza-1-stanna)bicyclo[3.3.01.5]octane

Conditions

Conditions	Yield
In toluene Inert atmosphere; Schlenk technique;	99%

: 619-58-9
4-iodobenzoic acid

: 120-07-0
2,2'-(phenylimino)bis[ethanol]

: 1436920-32-9
C24H21I2NO4

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0℃; for 3h;	98.8%
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 72h;	98.8%

: 619-58-9
4-iodobenzoic acid

: 120-07-0
2,2'-(phenylimino)bis[ethanol]

: C25H23I2NO3

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 72h;	98.8%

: 120-07-0
2,2'-(phenylimino)bis[ethanol]

: 52603-48-2
5-amino-3-methyl-thiophene-2,4-dicarbonitrile

: 162245-60-5
C17H17N5O2S

Conditions

Conditions	Yield
Stage #1: 5-amino-3-methyl-thiophene-2,4-dicarbonitrile With nitrosylsulfuric acid; sulfuric acid; acetic acid; propionic acid at 0 - 5℃; for 1h; Stage #2: 2,2'-(phenylimino)bis[ethanol] With acetic acid In water Cooling with ice; Stage #3: With ammonia In water pH=4;	98%

: 120-07-0
2,2'-(phenylimino)bis[ethanol]

: 98-88-4
benzoyl chloride

: 24867-51-4
2-[phenyl(2-benzoyloxyethyl)amino]ethyl benzoate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; for 24h; Acylation;	97%
With triethylamine In dichloromethane at 0℃; for 3h; Acylation;	86%

: 120-07-0
2,2'-(phenylimino)bis[ethanol]

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: 1208-03-3
4-(bis(2-chloroethyl)amino)benzaldehyde

Conditions

Conditions	Yield
Stage #1: 2,2'-(phenylimino)bis[ethanol]; N,N-dimethyl-formamide With trichlorophosphate at 0 - 40℃; for 8h; Vilsmeier-Haack formylation; Inert atmosphere; Stage #2: With potassium carbonate In water Cooling with ice;	97%
Stage #1: N,N-dimethyl-formamide With trichlorophosphate In water; N,N-dimethyl-formamide at 0℃; for 0.75h; Stage #2: 2,2'-(phenylimino)bis[ethanol] In water; N,N-dimethyl-formamide at 0 - 110℃; for 2h;	96%
With trichlorophosphate at 90℃; for 2h;	95%

N-Phenyldiethanolamine Chemical Properties

Molecular Formula: C₁₀H₁₅NO₂
Molar mass: 181.23 g/mol
EINECS: 204-368-5
Density: 1.165 g/cm³
Flash Point: 189.7 °C
Index of Refraction: 1.596
Boiling Point: 347.8 °C at 760 mmHg
Vapour Pressure: 1.98E-05 mmHg at 25°C
Melting point: 56-58 °C(lit.)
Water solubility: 45 g/L (20 ºC)
Appearance: White to brown crystalline mass, crystals or
Product categories: Intermediates of Dyes and Pigments
Structure of Glyphosine (2439-99-8):

XLogP3-AA: 0.4
H-Bond Donor: 2
H-Bond Acceptor: 3
IUPAC Name: 2-[N-(2-Hydroxyethyl)anilino]ethanol
Canonical SMILES: C1=CC=C(C=C1)N(CCO)CCO
InChI: InChI=1S/C10H15NO2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2
InChIKey: OJPDDQSCZGTACX-UHFFFAOYSA-N

N-Phenyldiethanolamine Toxicity Data With Reference

1.	skn-rbt 500 mg open MLD	UCDS** Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 6/13/60 .
2.	eye-rbt 100 mg SEV	UCDS** Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 6/13/60 .
3.	orl-rat LD50:980 mg/kg	JIDHAN Journal of Industrial Hygiene. 23 (1941),259.

Carcinogenicity of N-Phenyldiethanolamine (120-07-0) hasn't been listed as a carcinogen by NTP, IARC,ACGIH, or CA Prop 65. And its toxicological properties have not been fully investigated.You can see actual entry in RTECS for complete information.

N-Phenyldiethanolamine Consensus Reports

Reported in EPA TSCA Inventory.

N-Phenyldiethanolamine Safety Profile

Moderately toxic by ingestion. A severe eye and mild skin irritant. When heated to decomposition it emits toxic fumes of NO_x. See also AROMATIC AMINES.

Hazard Codes: Xn
Risk Statements:
20: Harmful by inhalation
21: Harmful in contact with skin
22: Harmful if swallowed
37: Irritating to the respiratory system
38: Irritating to the skin
41: Risk of serious damage to eyes
48: Danger of serious damage to health by prolonged exposure
Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection

N-Phenyldiethanolamine Specification

N-Phenyldiethanolamine (120-07-0) also can be called Ethanol, 2,2'- (phenylimino)bis- ; N,N-Di(.beta.-hydroxyethyl)aniline ; [Bis(2-hydroxyethyl)amino]benzene ; 2,2'-(Phenylimino)diethanol ; ethanol, 2,2'-(phenylimino)bis- ; N,N-Bis(.beta.-hydroxyethyl)aniline .It is hazardous,so the first aid measures and others should be known.Such as: When on the skin: first,should flush skin with plenty of water immediatelyfor at least 15 minutes while removing contaminated clothing. Secondly,Get shoesmedical aid . Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids.Then get medical aid soon.While ,it's Inhaled: Remove from exposure and move to fresh air immediately. And as soon as to get medical aid. Then you have the ingesting of the product : Wash mouth out with water,and get medical aid immediately.
In addition, N-Phenyldiethanolamine (120-07-0) is moisture sensitive with air and light, and can be stable under normal temperature and pressure conditions.It is not compatible with strong oxidizing agents, acids, acid chlorides, acid anhydrides,and you must not take it with incompatible materials and not be exposured to moist air or water.And also prevent it to broken down into hazardous decomposition products: oxides of nitrogen, carbon dioxide, carbon monoxide.

Product Name

2,2'-(Phenylimino)diethanol

Synthetic route

N-Phenyldiethanolamine Chemical Properties

N-Phenyldiethanolamine Toxicity Data With Reference

N-Phenyldiethanolamine Consensus Reports

N-Phenyldiethanolamine Safety Profile

N-Phenyldiethanolamine Specification

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