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  • N-Phenyldiethanolamine
Name:N-Phenyldiethanolamine
CAS No:120-07-0

PRODUCT DESCRIPTION

【Name】
N-Phenyldiethanolamine
【Iupac name】
2-[N-(2-hydroxyethyl)anilino]ethanol
【CAS Registry number】
120-07-0
【Synonyms】
2,2-(Phenylimino)diethanol
N,N-Dihydroxyethylaniline
PDEA
N,N-Bis(2-hydroxyethyl)aniline
N-Phenyl-2,2-iminodiethanol
【EINECS(EC#)】
204-368-5
【Molecular Formula】
C10H15NO2 (Products with the same molecular formula)
【Molecular Weight】
181.23
【Inchi】
InChI=1/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
【Canonical SMILES】
C1=CC=C(C=C1)N(CCO)CCO
【MOL File】
120-07-0.mol

Chemical and Physical Properties

【Appearance】
pale yellow crystal
【Density】
1.165g/cm3
【Melting Point】
55-59℃
【Boiling Point】
270℃
【Vapour】
1.98E-05mmHg at 25°C
【Flash Point】
200℃
【Water】
45 g/L (20℃)
【Solubilities】
AUTOIGNITION <
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29221980
【Storage temp】
Store in a cool, dry place. Keep container closed when not in use.
【Computed Properties】
Molecular Weight:181.2316 [g/mol]
Molecular Formula:C10H15NO2
XLogP3:0.4
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:5
Exact Mass:181.110279
MonoIsotopic Mass:181.110279
Topological Polar Surface Area:43.7
Heavy Atom Count:13
Formal Charge:0
Complexity:118
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:2
Feature 3D Cation Count:1
Feature 3D Ring Count:1
Effective Rotor Count:5
Conformer Sampling RMSD:0.6
CID Conformer Count:52

Safety and Handling

【Hazard Codes】
Xn:Harmful;
【Risk Statements】
R22;R41
【Safety Statements 】
S26;S39
【Safety】

Moderately toxic by ingestion. A severe eye and mild skin irritant. When heated to decomposition it emits toxic fumes of NOx. 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

【Transport】
25kgs
【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.

【Report】

Reported in EPA TSCA Inventory.

Use and Manufacturing

【Usage】
Organic synthesis; dyestuff; laboratory reagent.

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