3'-Nitroacetophenone

Modify Date: 2026-07-23 16:44:36

3'-Nitroacetophenone Structure
3'-Nitroacetophenone structure
 Common Name 3'-Nitroacetophenone
CAS Number 121-89-1 Molecular Weight 165.146
Density 1.2±0.1 g/cm3 Boiling Point 237.3±13.0 °C at 760 mmHg
Molecular Formula C8H7NO3 Melting Point 76-78 °C(lit.)
MSDS Chinese USA Flash Point 99.9±12.6 °C

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 3-Nitroacetophenone
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.2±0.1 g/cm3
Boiling Point 237.3±13.0 °C at 760 mmHg
Melting Point 76-78 °C(lit.)
Molecular Formula C8H7NO3
Molecular Weight 165.146
Flash Point 99.9±12.6 °C
Exact Mass 165.042587
PSA 62.89000
LogP 1.49
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.558
InChIKey ARKIFHPFTHVKDT-UHFFFAOYSA-N
SMILES CC(=O)c1cccc([N+](=O)[O-])c1
Stability Stable. Incompatible with strong oxidizing agents, strong bases.
Water Solubility <0.01 g/100 mL at 20 ºC

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AM9625000
CHEMICAL NAME :
Acetophenone, 3'-nitro-
CAS REGISTRY NUMBER :
121-89-1
LAST UPDATED :
199806
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C8-H7-N-O3
MOLECULAR WEIGHT :
165.16
WISWESSER LINE NOTATION :
WNR CV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
3 mL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
1 mg/plate
REFERENCE :
ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 9(Suppl 9),1,1987

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes Xn:Harmful
Risk Phrases R21
Safety Phrases 22-24/25
RIDADR UN 2735 8/PG 3
WGK Germany 2
RTECS AM9625000
Packaging Group III
Hazard Class 8
HS Code 29147090

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2914700090
Summary HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

 3'-NitroacetophenoneBioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482
Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344
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 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

3’-Nitroacetophenone
MFCD00007259
1-(3-Nitrophenyl)ethanone
3'-Nitroacetophenone
m-Nitroacetophenone
3-Nitroacetophenone
EINECS 204-504-3

 3'-Nitroacetophenone | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the CAS number of 3-Nitroacetophenone?
A: CAS number of 3-Nitroacetophenone is 121-89-1.
Q: What is the LogP of 3-Nitroacetophenone?
A: LogP of 3-Nitroacetophenone is 1.49.
Q: What is the safety information for 3-Nitroacetophenone?
A: Safety information for 3-Nitroacetophenone: 22-24/25.
Q: What is the molecular weight of 3-Nitroacetophenone?
A: Molecular weight of 3-Nitroacetophenone is 165.146.
Q: What are the upstream materials of 3-Nitroacetophenone?
A: Related upstream materials(CAS) of 3-Nitroacetophenone: 586-39-0;98-86-2;2227-64-7;3034-94-4;95-54-5;5400-78-2;77635-38-2;5758-02-1;7471-32-1;1426391-57-2.
Q: What is the polar surface area (PSA) of 3-Nitroacetophenone?
A: Polar surface area (PSA) of 3-Nitroacetophenone is 62.89000.
Q: What English synonyms does 3-Nitroacetophenone have?
A: English synonyms of 3-Nitroacetophenone: 3’-Nitroacetophenone, MFCD00007259, 1-(3-Nitrophenyl)ethanone, 3'-Nitroacetophenone, m-Nitroacetophenone, 3-Nitroacetophenone, EINECS 204-504-3.
Q: What are the downstream products of 3-Nitroacetophenone?
A: Related downstream products(CAS) of 3-Nitroacetophenone: 36765-84-1;50-80-6;90271-37-7;51226-14-3;2138-39-8;21762-12-9;184650-02-0;99-61-6;25870-68-2;30071-44-4.
Q: How is the water solubility of 3-Nitroacetophenone?
A: Water solubility of 3-Nitroacetophenone: <0.01 g/100 mL at 20 ºC.
Q: What is the English name of 3-Nitroacetophenone?
A: The English name of 3-Nitroacetophenone is 3-Nitroacetophenone.

 3'-Nitroacetophenonefactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
Henan Tianfu Chemical Co., Ltd.
Zhongshan Xingrui Chemical Co. , Ltd.
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