CAS No.122-98-5,2-Anilinoethanol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	122-98-5
Name:	2-Anilinoethanol
Article Data:	101

Formula:	C₈H₁₁NO
Molecular Weight:	137.181
Synonyms:	Ethanol,2-anilino- (6CI,8CI);2-(Phenylamino)ethanol;Benzenamine,N-(2-hydroxyethyl)-;N-(2-Hydroxyethyl)aniline;N-(2-Hydroxyethyl)benzenamine;N-(2-Hydroxyethyl)phenylamine;N-Phenyl-2-aminoethanol;N-Phenylethanolamine;b-Anilinoethanol;2-Anilinoethanol;
EINECS:	204-588-1
Density:	1.116 g/cm³
Melting Point:	-30 °C
Boiling Point:	286.882 °C at 760 mmHg
Flash Point:	151.359 °C
Solubility:	53 g/L (20 °C) in water
Appearance:	Clear yellow to brown liquid
Hazard Symbols:	T
Risk Codes:	24-41-48/20/21/22-36
Safety:	26-36/37/39-45-28A
Transport Information:	UN 2810 6.1/PG 2
PSA:	32.26000
LogP:	1.16380

Synthetic route

: 591-50-4
iodobenzene

: 141-43-5
ethanolamine

: 122-98-5
2-Anilinoethanol

Conditions

Conditions	Yield
With copper(l) chloride; potassium hydroxide at 20℃; for 8h; Neat (no solvent);	99%
With aluminum oxide; copper; potassium hydroxide for 0.5h;	98%
With copper(l) iodide; bis(tetrabutylammonium) adipate; L-proline In N,N-dimethyl-formamide at 25℃; for 24h; Inert atmosphere;	96%

: 108-86-1
bromobenzene

: 141-43-5
ethanolamine

: 122-98-5
2-Anilinoethanol

Conditions

Conditions	Yield
With copper(l) chloride; potassium hydroxide at 90℃; for 8h; Neat (no solvent);	99%
With potassium phosphate; copper(l) iodide In diethylene glycol at 70℃; for 14h; Sealed tube;	98%
With copper(l) iodide; potassium carbonate In water at 80℃; for 15h;	91.1%
With chitosan Cu2+ complex In acetonitrile for 6h; Reflux; Green chemistry;	87%

: 141-43-5
ethanolamine

: 98-80-6
phenylboronic acid

: 122-98-5
2-Anilinoethanol

Conditions

Conditions	Yield
With [copper(II)]2-β-cyclodextrin complex In water at 20℃; for 24h; chemoselective reaction;	96%
With Fe3O4 magnetic nanoparticles-supported EDTA-copper(II) complex In water at 50℃; for 2h; Green chemistry;	96%

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

: 62-53-3
aniline

: 122-98-5
2-Anilinoethanol

Conditions

Conditions	Yield
With Na-Y zeolite In Triethylene glycol dimethyl ether at 160℃; for 0.5h;	94%
With 1-n-butyl-3-methylimidazolim bromide

: 75-21-8
oxirane

: 62-53-3
aniline

: 122-98-5
2-Anilinoethanol

Conditions

Conditions	Yield
With samarium(III) chloride In tetrahydrofuran at 0℃; for 12h;	93.1%
With zinc(II) chloride In acetonitrile at -20℃; for 20h;	87.3%
In acetone for 15h; Cooling with ice;	82%

: 624-76-0
Iodoethanol

: 62-53-3
aniline

: 122-98-5
2-Anilinoethanol

Conditions

Conditions	Yield
at 90℃; for 6h; Inert atmosphere;	90%

: 62-53-3
aniline

: 540-51-2
2-bromoethanol

: 122-98-5
2-Anilinoethanol

Conditions

Conditions	Yield
at 90℃; for 4h; Inert atmosphere;	89%
at 80℃; for 1h;	3 g

: 108-98-5
thiophenol

: 3-phenyl-1,2,3-oxadiazolinium trifluoromethanesulfonate

A: 139-66-2
diphenyl sulfide

B: 882-33-7
diphenyldisulfane

C: 1227476-15-4
Azobenzene

D: 122-98-5
2-Anilinoethanol

Conditions

Conditions	Yield
In phosphate buffer; acetonitrile at 25℃; for 4h; pH=7.4; Oxidation; Ring cleavage; Further byproducts given;	A 3% B 85% C 7.5% D 1.7%

...Expand

: 1758-46-9
2-phenoxyethanamine

: 122-98-5
2-Anilinoethanol

Conditions

Conditions	Yield
With 3,6‐di‐tert‐butyl‐9‐mesityl‐10‐phenylacridin‐10‐ium tetrafluoroborate In 2,2,2-trifluoroethanol at 29℃; for 24h; Reagent/catalyst; Solvent; Sealed tube; Irradiation; Inert atmosphere;	85%

: 107-21-1
ethylene glycol

: 62-53-3
aniline

: 122-98-5
2-Anilinoethanol

Conditions

Conditions	Yield
With Fe3O4/FeO In water at 40℃; for 24h; Time; Green chemistry;	76%
With palladium on activated charcoal; zinc(II) oxide In water at 150℃; for 24h; Sealed tube;	65%
In o-xylene at 150℃; for 30h; Inert atmosphere; Sealed tube;	39%
tiveTMNanoMgOPlus(NAP-MgO,Aerogel*prepared) at 125℃; for 1h;

Raw Materials

50-00-0

75-21-8

98-80-6

124-38-9

7601-90-3

122-59-8

3747-48-6

100-61-8

Downstream Products

120-07-0

124-38-9

Total:124 Page 1 of 4 1 2 3 4 Next>>

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Specification

The 2-Anilinoethanol, with the CAS registry number 122-98-5, is also known as N-(2-Hydroxyethyl)aniline. It belongs to the product categories of Intermediates of Dyes and Pigments; Hydroxyethylamines. Its EINECS registry number is 204-588-1. This chemical's molecular formula is C₈H₁₁NO and molecular weight is 137.18. What's more, its IUPAC name is the same with its product name.

Physical properties about 2-Anilinoethanol are: (1)ACD/LogP: 0.906; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.86; (4)ACD/LogD (pH 7.4): 0.91; (5)ACD/BCF (pH 5.5): 2.60; (6)ACD/BCF (pH 7.4): 2.87; (7)ACD/KOC (pH 5.5): 66.98; (8)ACD/KOC (pH 7.4): 73.97; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 32.26 Å²; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 42.03 cm³; (15)Molar Volume: 122.902 cm³; (16)Polarizability: 16.662×10^-24cm³; (17)Surface Tension: 47.517 dyne/cm; (18)Density: 1.116 g/cm³; (19)Flash Point: 151.359 °C; (20)Enthalpy of Vaporization: 55.556 kJ/mol; (21)Boiling Point: 286.882 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.

Preparation of 2-Anilinoethanol: this chemical can be prepared by benzenethiol with 3-phenyl-4,5-dihydro-[1,2,3]oxadiazol-3-ium; trifluoro-methanesulfonate. This reaction type is Oxidation//Ring cleavage. This reaction needs solvents acetonitrile and phosphate buffer at temperature of 25 °C. The reaction time is 4 hours and the value of PH is 7.4. The yield is 85 %.

2-Anilinoethanol can be prepared by benzenethiol with 3-phenyl-4,5-dihydro-[1,2,3]oxadiazol-3-ium; trifluoro-methanesulfonate.

Uses of 2-Anilinoethanol: it is used to produce other chemicals. For example, it can react with 1-fluoro-2-nitro-benzene to get N-[2-(2-nitrophenoxy)ethyl]aniline. This reaction needs reagent KOH and solvents benzene at temperature of 100 °C. The reaction time is 20 hours. The yield is 85 %.

2-Anilinoethanol can react with 1-fluoro-2-nitro-benzene to get N-[2-(2-nitrophenoxy)ethyl]aniline.

When you are dealing with this chemical, you should be very careful. This chemical cause damage to health at low levels and it is toxic in contact with skin. It is harmful by inhalation, in contact with skin and if swallowed. In addition, it is irritating to eyes and it is has serious damage to eyes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: OCCNc1ccccc1
(2) InChI: InChI=1S/C8H11NO/c10-7-6-9-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
(3) InChIKey: MWGATWIBSKHFMR-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LDLo	intravenous	165mg/kg (165mg/kg)	VASCULAR: CONTRACTION (ISOLATED TISSUES)	JAMA, Journal of the American Medical Association. Vol. 123, Pg. 761, 1943.
dog	LDLo	subcutaneous	220mg/kg (220mg/kg)	VASCULAR: CONTRACTION (ISOLATED TISSUES)	JAMA, Journal of the American Medical Association. Vol. 123, Pg. 761, 1943.
mouse	LD50	intraperitoneal	137mg/kg (137mg/kg)		Yakugaku Zasshi. Journal of Pharmacy. Vol. 97, Pg. 1117, 1977.
mouse	LDLo	subcutaneous	1100mg/kg (1100mg/kg)	VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION	"Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 111, 1948.
rabbit	LD50	skin	63uL/kg (.063mL/kg)		American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rabbit	LDLo	intravenous	44mg/kg (44mg/kg)	BEHAVIORAL: COMA BEHAVIORAL: ATAXIA	JAMA, Journal of the American Medical Association. Vol. 123, Pg. 761, 1943.
rat	LD50	oral	2230mg/kg (2230mg/kg)		Union Carbide Data Sheet. Vol. 8/21/1961,