1-(3-Nitrophenyl)ethanone

Basic Information

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CAS Number

121-89-1

Molecular Formula

C8H7NO3

Molecular Weight

165.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Cryst.

Melting Point

77.0 to 80.0 deg-C

Boiling Point

202 °C

Water Solubility

<0.01 g/100 mL at 20 ºC

Flash Point

202℃

Refractive Index

1.5468 (estimate)

SMILES

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CC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C8H7NO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3

InChIKey

ARKIFHPFTHVKDT-UHFFFAOYSA-N

LogP

log Kow= 1.42 (experimental)

Complexity

197

Safety Information

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Hazard Statement

H316 Causes mild skin irritation
Skin corrosion/irritation

Stability

Stable. Incompatible with strong oxidizing agents, strong bases.

Synonyms & References

English

Tox21_200737
N0109
EINECS 204-504-3
CAS-121-89-1
3-Nitroacetofenon
NS00020942
MLS002415744
AKOS040761108
m-Acetylnitrobenzene
AQ-917/40187877
CCRIS 2330
UNII-SU4B5T763F
D70891
NSC5511
(3-nitrophenyl)methylketone
1-(3-nitrophenyl)ethan-1-one
STR00971
CS-W020548
3'-Nitroacetophenone, Vetec(TM) reagent grade, 98%
SU4B5T763F
NCGC00091314-02
SCHEMBL54610
SCHEMBL2617114
M-NITROACETOPHENONE [HSDB]
CHEMBL1327526
InChI=1/C8H7NO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H
3'-Nitroacetophenone, purum, >=98.0% (GC)
3'-Nitroacetophenone
F3098-5170
Acetophenone, 3'-nitro-
Ethanone, 1-(3-nitrophenyl)-

MDL Number

MFCD00007259

Customs Code

29147090

FAQ

What is 1-(3-Nitrophenyl)ethanone (CAS: 121-89-1)?

1-(3-Nitrophenyl)ethanone, with the CAS number 121-89-1, is an organic compound featuring a ketone group attached to a 3-nitrophenyl ring. It has the molecular formula C9H8NO3 and is typically a yellowish solid with a molecular weight of 168.16 g/mol. This compound is known for its aromatic structure and is commonly used in chemical synthesis due to its reactivity and versatility.

What are the main uses of 1-(3-Nitrophenyl)ethanone (CAS: 121-89-1)?

1-(3-Nitrophenyl)ethanone (CAS: 121-89-1) is widely used in pharmaceutical research as a key intermediate in the synthesis of various drugs. It also finds applications in the production of agrochemicals, dyes, and specialty chemicals. Its reactivity makes it valuable in organic synthesis for creating complex molecules with functional groups.

Is 1-(3-Nitrophenyl)ethanone (CAS: 121-89-1) safe?

1-(3-Nitrophenyl)ethanone (CAS: 121-89-1) is generally considered safe when handled properly. However, it may cause irritation to the skin, eyes, and respiratory system. Safety precautions include wearing protective gloves, goggles, and a lab coat. It is important to follow OSHA and EPA guidelines to ensure safe handling and disposal.

How should 1-(3-Nitrophenyl)ethanone (CAS: 121-89-1) be stored?

1-(3-Nitrophenyl)ethanone (CAS: 121-89-1) should be stored in a cool, dry, and well-ventilated place, away from direct light. It is best kept in a sealed container made of glass or polyethylene to prevent contamination. Storage at temperatures below 25°C and in a humidity-controlled environment is recommended to maintain stability and prevent degradation.