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N-Phenyldiethanolamine

N-Phenyldiethanolamine structure

CAS No:
120-07-0
Formula:
C10H15NO2
Chemical Name:
N-Phenyldiethanolamine
Synonyms:
Ethanol,2,2′-(phenylimino)bis-;Ethanol,2,2′-(phenylimino)di-;2,2′-(Phenylimino)bis[ethanol];Diethanolaminobenzene;Diethanolaniline;N,N-Di(2-hydroxyethyl)aniline;2,2′-(Phenylimino)diethanol;N-Phenyldiethanolamine;Phenyldiethanolamine;N,N-Di(β-hydroxyethyl)aniline;N,N-Bis(2-hydroxyethyl)aniline;Phenylbis(2-hydroxyethyl)amine;N,N-Diethanolaniline;N-Phenyl-N,N-diethanolamine;Diethanolphenylamine;N,N-Bis(β-hydroxyethyl)aniline;[Bis(2-hydroxyethyl)amino]benzene;N-Phenyliminodiethanol;3-Phenyl-3-azapentane-1,5-diol;NSC 6327;2-[(2-Hydroxyethyl)phenylamino]ethanol;N,N-Dihydroxyethylaniline;N,N-Bis(2-hydroxyethyl)-N-phenylamine;Bis(2-hydroxyethyl)aniline;2,2′-(Phenylazanediyl)diethanol;2-[N-(2-Hydroxyethyl)anilino]ethanol;2-[(2-Hydroxyethyl)(phenyl)amino]ethan-1-ol
Categories:
Chemical Reagents > Organic Reagents

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Description

white to brown crystalline mass, crystals or

OtherSolid

N-Phenyldiethanolamine Basic Attributes

Molecular Weight：

181.23

Exact Mass：

181.23

BRN：

2096832

EC Number：

204-368-5

UNII：

VE25V5K077

NSC Number：

6327

DSSTox ID：

DTXSID5021962

HScode：

29221980

Characteristics

PSA：

43.7

XLogP3：

0.4

Appearance：

White to brown Crystalline Mass, Crystals or Chunks

Density：

1.1

Melting Point：

57 °C

Boiling Point：

200 °C

Flash Point：

200 °C

Refractive Index：

1.5464 (estimate)

Water Solubility：

H2O: 45 g/L (20 ºC)

Storage Conditions：

Store below +30°C.

Vapor Pressure：

<0.01 mm Hg ( 20 °C)

Vapor Density：

>1 (vs air)

Toxicity：

Oral-rat LD50: 980 mg/kg

Flammability characteristics：

Flammable; decomposes toxic nitrogen oxide fumes when heated

Safety Information

Packing level：

Ⅲ

Transport codes：

1759

wgk germany：

hazard class code：

22-41-48/20/21/22-37/38

safety instructions：

26-39-36/37/39

RTECS Number：

KM2100000

Marks：

Storage features：

Warehouse ventilated, low temperature and dry

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H318-H335

GHS Classification：

|Danger|H302 (58.96%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P272, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P307+P311, P309+P311, P310, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 251 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

moderately toxic

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
ACUTE TOXICITY DATA	LD50 - Lethal dose, 50 percent kill	Oral	Rodent - rat	980 mg/kg	Details of toxic effects not reported other than lethal dose value--	Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 23,259,1941
ACUTE TOXICITY DATA	LD50 - Lethal dose, 50 percent kill	Oral	Rodent - mouse	360 mg/kg	Behavioral--convulsions or effect on seizure threshold Behavioral--muscle weakness Lungs, Thorax, or Respiration--cyanosis	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 27(4),54,1983
ACUTE TOXICITY DATA	TDLo - Lowest published toxic dose	Oral	Rodent - rat	14400 mg/kg/30D-I	Blood--pigmented or nucleated red blood cells Blood--changes in serum composition (e.g. TP, bilirubin, cholesterol) Blood--changes in erythrocyte (RBC) count	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 27(4),54,1983

N-Phenyldiethanolamine Use and Manufacturing

Methods of Manufacturing

It is derived from the addition of aniline and ethylene oxide.

Uses

Used as an intermediate for medicines and dyes, for the production of anti-tumor drugs N-formyl sarcoma, anti-tumor acid, and for the production of the dye Nylosan Rubine N-5BL (CIAcid Red 299 , 12220-29-0]), this dye is also called weak acid sauce red 5BL or weak acid ruby N-5BL, used for dyeing wool and nylon, and can be used for leather dyeing, N-formyl sarcoma, anti-tumor ammonia Acid intermediates are also dye intermediates.

Intermediates

Building/construction materials not covered elsewhere

Manufacturing Info：

All other basic organic chemical manufacturing|Ethanol, 2,2'-(phenylimino)bis-: ACTIVE

Computed Properties

Molecular Weight:181.23
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:181.110278721
Monoisotopic Mass:181.110278721
Topological Polar Surface Area:43.7
Heavy Atom Count:13
Complexity:118
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

1413925-42-4

74497-02-2

74497-02-2

Material

N-Methylaniline

Formaldehyde

Aniline

Methanol

Acetone

Ethylene oxide

Ethylene carbonate

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CAS No.: 120-07-0

Grade: Industrial Grade

Content: 99%

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