Encyclopedia / Pharmaceutical Intermediates

PHENOXYACETAMIDE

CAS：621-88-5
MW:151.16256
MF：C8H9NO2

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Names and ldentifier
Properties
Use and Manufacturing
Msds
Other Information
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: PHENOXYACETAMIDE

1.2 Synonyms: 2-phenoxy-acetamid; 2-PHENOXYACETAMIDE; 2-Phenyloxyacetamide; Acetamide, 2-phenoxy-; Acetamide,2-phenoxy; EINECS 210-713-0; MFCD00017140; phenoxy-acetic acid amide; Phenoxyacetic amide; Phenoxy-essigsaeure-amid; PhOCH2CONH2;

1.3 CAS No.: 621-88-5

1.4 CID: 69314

1.5 EINECS: 210-713-0

1.6 Molecular Formula: C8H9NO2

1.7 Inchi: InChI=1S/C8H9NO2/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)

1.8 InChkey: AOPRXJXHLWYPQR-UHFFFAOYSA-N

1.9 Canonical Smiles: C1=CC=C(C=C1)OCC(=O)N

1.10 Isomers Smiles: C1=CC=C(C=C1)OCC(=O)N

2. Properties

2.1 Solubility: 21 [ug/mL]

2.2 Appearance: white crystalline powder

2.3 Storage: Ambient temperatures.

2.4 Chemical Properties: white crystalline powder PHENOXYACETAMIDESupplier

2.5 Water Solubility: 21 [ug/mL]

2.6 StorageTemp: Store below +30°C.

3. Use and Manufacturing

3.1 Description: Phenoxyacetamide (CAS 621-88-5) is a chemical compound that appears as a white crystalline powder. Its basic structure consists of a phenoxy group attached to an acetamide group. This compound is soluble in water, allowing it to form a clear solution. It has physical properties of a fine white powder with a crystalline texture, and it is odorless and tasteless, making it suitable for various applications.

Applicable Fields
Phenoxyacetamide is used in different fields for various purposes:

Pharmaceutical Industry: In the pharmaceutical industry, phenoxyacetamide is used as an intermediate in the synthesis of various drugs. It serves as a building block for the production of pharmaceutical compounds.

Herbicides: Phenoxyacetamide derivatives are used as herbicides to control the growth of unwanted plants. These compounds inhibit the growth of weeds and help maintain the desired vegetation in agricultural and horticultural settings.

Storage Conditions
Store in a cool, dry place.

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4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Acute toxicity - Inhalation, Category 4

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed H312 Harmful in contact with skin H315 Causes skin irritation H319 Causes serious eye irritation H332 Harmful if inhaled H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. P332+P313 If skin irritation occurs: Get medical advice/attention. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. Synthesis Route

621-88-5Total: 16 Synthesis Route

64-17-5 396 Suppliers

621-88-5 16 Suppliers

68275-67-2

122-59-8 174 Suppliers

621-88-5 16 Suppliers

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6. Precursor and Product

precursor:

64-17-5

110009-60-4

2555-49-9

25774-60-1

701-99-5

2065-23-8

79-07-2

108-95-2

122-59-8

139-02-6

3598-14-9

product:

69986-21-6

35370-80-0

2555-49-9

1758-46-9

2065-23-8

3598-10-5

1982-42-9

122-59-8

3598-14-9

7. Computed Properties

Molecular Weight：151.16256g/mol
Molecular Formula：C₈H₉NO₂
Compound Is Canonicalized：True
XLogP3-AA：151.063328530
Monoisotopic Mass：151.063328530
Complexity：130
Rotatable Bond Count：3
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：52.3
Heavy Atom Count：：11
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccByMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQAAAACAShkAIwBoBABACIACFSEAICCAAgIAAIiABGCIgOJiKEMR6DOCCk0BEIqAeAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==