PX-478 | CAS No. 685898-44-6

PX-478

Basic Information

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CAS Number

685898-44-6

Molecular Formula

C13H20Cl4N2O3

Molecular Weight

394.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1=CC(=CC=C1CC(C(=O)O)N)[N+](CCCl)(CCCl)[O-].Cl.Cl

InChI

InChI=1S/C13H18Cl2N2O3.2ClH/c14-5-7-17(20,8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19;;/h1-4,12H,5-9,16H2,(H,18,19);2*1H/t12-;;/m0../s1

InChIKey

GIGCDIVNDFQKRA-LTCKWSDVSA-N

LogP

4.26280

Complexity

304

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

685898-44-6
PX-478 2HCL?
A867013
UNII-T23U22X160
DB06082
AC-35272
2-Amino-3-(4'-N,N-bis(2-chloroethyl)amino)phenylpropionic acid N-oxide
HY-10231
L-Phenylalanine, 4-(bis(2-chloroethyl)oxidoamino)-, dihydrochloride
AKOS030231369
PX478
CHEMBL4061538
SCHEMBL18548830
PX 478 [WHO-DD]
CS-5164
685898-44-6 (HCl)
CCG-268582
PX-478 2HCl
PX-478
EX-A4655
PX 478
PX-478 HCl
BDBM50231387
4-[(2S)-2-amino-2-carboxyethyl]-N,N-bis(2-chloroethyl)benzeneamine oxide;dihydrochloride
T23U22X160
AS-76128
(S)-4-(2-amino-2-carboxyethyl)-N,N-bis(2-chloroethyl)aniline oxide dihydrochloride
Q27289565
s7612
4-(bis(2-chloroethyl)oxidoamino)-l-phenylalanine 2hcl
DTXSID00218688

MDL Number

MFCD11840749

FAQ

What are the physical and chemical properties of PX-478 (CAS: 685898-44-6)?

PX-478 is a crystalline compound with a molecular weight of approximately 228.23 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and dichloromethane. PX-478 is relatively stable but can be reactive under certain conditions, particularly with strong oxidizing agents.

How is PX-478 (CAS: 685898-44-6) typically synthesized?

PX-478 is synthesized via a multi-step reaction involving the condensation of a cyclic ketone with an aromatic amine, followed by hydrogenation. The synthesis typically requires the use of a palladium catalyst and occurs under normal temperature and pressure conditions, with high selectivity and good yield.

What industries use PX-478 (CAS: 685898-44-6)?

PX-478 finds applications in the pharmaceutical industry for drug synthesis, particularly in the development of new anti-inflammatory agents. It is also used in the polymer industry as a monomer for the manufacture of advanced materials. Additionally, it has potential applications in sensor technology and semiconductor manufacturing.

What precautions should be taken when handling PX-478 (CAS: 685898-44-6)?

When handling PX-478, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials. Refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.