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4'-Fluoro-3'-nitroacetophenone

CAS：400-93-1
MW:183.138
MF：C8H6FNO3

4'-Fluoro-3'-nitroacetophenone, with the chemical formula C8H6FNO3 and CAS registry number 400-93-1, is a compound known for its applications in various chemical processes. This yellow crystalline solid is characterized by its fluorine and nitro functional groups. It is commonly used as a reagent in organic synthesis, offering a versatile platform for the introduction of fluorine and nitro moieties into different molecules. 4'-Fluoro-3'-nitroacetophenone is also used as a starting material for the synthesis of pharmaceuticals and agrochemicals. It is important to handle this compound with care, as it may be harmful if swallowed, inhaled, or in contact with skin. Proper safety precautions should be followed when working with 4'-Fluoro-3'-nitroacetophenone to ensure the well-being of individuals and the environment.

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Names and ldentifier
Properties
Use and Manufacturing
Msds
Computational chemical data
Related Questions
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 4'-Fluoro-3'-nitroacetophenone

1.2 Synonyms: 1-(3-Nitro-4-fluorophenyl)ethan-1-one; 1-(4-Fluoro-3-nitrophenyl)ethan-1-one; 1-(4-Fluoro-3-nitrophenyl)ethan-1-one, 5-Acetyl-2-fluoronitrobenzene; 1-(4-fluoro-3-nitrophenyl)ethanone; 1-(4-fluoro-3-nitro-phenyl)ethanone; 3-Acetyl-6-fluoronitrobenzene; 3-Nitro-4-Fluoro Acetophenone; 3'-nitro-4'-fluoroacetophenone; 3-Nitro-4-fluoroacetophenone; 4‘-Fluoro-3‘-nitroacetophenone; 4′-Fluor-3′-nitroacetophenon; 4′-Fluoro-3′-nitroacetophenone; 4-Acetyl-1-fluoro-2-nitrobenzene; 4'-Fluor-3'-nitroacetophenon; 4-Fluoro-3-nitroacetophenone; 4-Fluoro-3-nitroacetophneone; 4'-Fluoro-3'-notroacetophenone; Acetophenone, 4′-fluoro-3′-nitro-; Ethanone, 1-(4-fluoro-3-nitrophenyl)-; MFCD00115369; WNR BF EV1;

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1.3 CAS No.: 400-93-1

1.4 CID: 2734612

1.5 EINECS: 000-000-0

1.6 Molecular Formula: C8H6FNO3

1.7 Inchi: InChI=1S/C8H6FNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,1H3

1.8 InChkey: PTCNZDJJIOLIKQ-UHFFFAOYSA-N

1.9 Canonical Smiles: CC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]

1.10 Isomers Smiles: CC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]

2. Properties

2.1 Appearance: light yellow crystalline powder

2.2 Storage: Ambient temperatures.

2.3 Chemical Properties: light yellow crystalline powder 4'-Fluoro-3'-nitroacetophenoneSupplier

2.4 Color/Form: Light yellow

3. Use and Manufacturing

3.1 Description

4'-Fluoro-3'-nitroacetophenone, with the chemical formula C8H6FNO3, has the CAS number 400-93-1. It appears as a yellow crystalline solid with no distinct odor. The basic structure of 4'-Fluoro-3'-nitroacetophenone consists of a phenyl ring attached to a carbonyl group, with a fluorine atom and a nitro group substituting different positions on the phenyl ring. This compound is sparingly soluble in water. Safety information regarding 4'-Fluoro-3'-nitroacetophenone is not available.

Applicable Fields

Chemical synthesis: 4'-Fluoro-3'-nitroacetophenone is commonly used in chemical synthesis as a building block or intermediate for the production of various compounds. Its mechanism of action in this field involves its ability to undergo reactions and form new chemical bonds, enabling the synthesis of more complex molecules.

Storage

Conditions: Store in a cool and dry place.

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4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

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)	H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. 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	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. 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. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
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

400-93-1Total: 1 Synthesis Route

403-42-9 264 Suppliers

400-93-1 111 Suppliers

6. Precursor and Product

precursor:

403-42-9

product:

67500-19-0

774-86-7

54375-49-4

24430-26-0

2002-82-6

2105-96-6

587-02-0

1583-89-7

61564-84-9

6277-38-9

7. Computed Properties

Molecular Weight：183.138g/mol
Molecular Formula：C₈H₆FNO₃
Compound Is Canonicalized：True
Exact Mass：1.5
XLogP3-AA：183.03317122
Monoisotopic Mass：183.03317122
Complexity：226
Rotatable Bond Count：1
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：4
Topological Polar Surface Area：62.9
Heavy Atom Count：：13
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：AAADcYByMQAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHwAEAAAADAyBmAgywIAQQACJAqRSQwCCAAAkAgAoiAEAZMoIIDKAlZGAIQBggAAIyYcciICOAAAAQAAAAAAAAACAAAAAAAAAAAAAAA==

8. Toltal 106 Suppliers View more

Shanghai Worldyang Chemical Co.,Ltd.

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Tel: Update Time:2024/11/04

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Factory Supply 1-(4-Fluoro-3-Nitrophenyl)
Ethanone

Amitychem Corporation

^1YR

Tel: Update Time:2023/06/28

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Dayang Chem (Hangzhou) Co., Ltd.

^1YR

Tel: Update Time:2024/06/17

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Hangzhou Tianye chemicals Co., Ltd

^1YR

Tel: Update Time:2024/10/22

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Beijing Sinsteck Technology Co., Ltd.

Tel: Update Time:2015/08/31

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9. Related Questions

: Chemoselectivity in reduction of 3′-nitroacetophenone When 3′-nitroacetophenone is treated with sodium borohydride, only the carbonyl group is reduced (top); however, when reacted with tin and hydrochloric acid only the nitro group is reduced (bottom)...

10. Realated Product Infomation

1. Names and Identifiers

1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 EINECS(EC#)
1.5 Molecular Formula
1.6 Inchi
1.7 InChkey
1.8 Canonical Smiles
1.9 Isomers Smiles

2. Properties

2.1 Appearance
2.2 Storage
2.3 Chemical Properties
2.4 Color/Form

3. Use and Manufacturing

3.1 Description

4. Msds

5. Synthesis Route

6. Precursor and Product

7. Computational chemical data

8. Toltal 106 Suppliers

9. Related Questions

10. Realated Product Infomation

CAS Products Suppliers