1-Ethoxy-4-nitrobenzene

Modify Date: 2026-07-01 20:45:38

1-Ethoxy-4-nitrobenzene Structure
1-Ethoxy-4-nitrobenzene structure
 Common Name 1-Ethoxy-4-nitrobenzene
CAS Number 100-29-8 Molecular Weight 167.162
Density 1.2±0.1 g/cm3 Boiling Point 283.0±0.0 °C at 760 mmHg
Molecular Formula C8H9NO3 Melting Point 56-60 °C
MSDS N/A Flash Point 134.1±21.8 °C

 Names

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

Name 1-Ethoxy-4-nitrobenzene
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 283.0±0.0 °C at 760 mmHg
Melting Point 56-60 °C
Molecular Formula C8H9NO3
Molecular Weight 167.162
Flash Point 134.1±21.8 °C
Exact Mass 167.058243
PSA 55.05000
LogP 2.56
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.535
InChIKey NWPKEYHUZKMWKJ-UHFFFAOYSA-N
SMILES CCOc1ccc([N+](=O)[O-])cc1
Stability Stable. Incompatible with strong oxidizing agents.

 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 :
DA0600000
CHEMICAL NAME :
Benzene, 1-ethoxy-4-nitro-
CAS REGISTRY NUMBER :
100-29-8
BEILSTEIN REFERENCE NO. :
0972473
LAST UPDATED :
199710
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C8-H9-N-O3
MOLECULAR WEIGHT :
167.18
WISWESSER LINE NOTATION :
WNR DO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3300 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - other changes Blood - hemorrhage
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>16 gm/kg
TOXIC EFFECTS :
Liver - fatty liver degeneration Kidney, Ureter, Bladder - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2100 mg/kg
TOXIC EFFECTS :
Behavioral - general anesthetic Lungs, Thorax, or Respiration - respiratory depression Blood - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>7940 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - food intake (animal)

MUTATION DATA

TYPE OF TEST :
DNA repair
TEST SYSTEM :
Bacteria - Bacillus subtilis
DOSE/DURATION :
5 mg/disc
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 170,11,1986 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4374 No. of Facilities: 6 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 206 (estimated) No. of Female Employees: 23 (estimated)

 Safety Information

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

Hazard Codes Xi
Safety Phrases S24/25-S22
RTECS DA0600000
HS Code 2909309090

 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 2909309090
Summary 2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

 1-Ethoxy-4-nitrobenzeneBioassay

View more

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

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
Name: qHTS assay to identify small molecule antagonists of the peroxisome proliferator-acti...
Source: 824
Target: N/A
External Id: PPARGV841
Name: qHTS assay to identify small molecule agonists of the TGF-beta/Smad signaling pathway...
Source: 824
Target: N/A
External Id: TGF788
Name: qHTS assay to identify small molecule antagonists of the TGF-beta/Smad signaling path...
Source: 824
Target: N/A
External Id: TGF602
Name: qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cell fr...
Source: 824
Target: N/A
External Id: SPEC167MG
Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600
Name: qHTS assay to identify small molecule agonists of the peroxisome proliferator-activat...
Source: 824
Target: N/A
External Id: PPARDV813
Name: qHTS assay to test for compound auto fluorescence at 590 nm (red) in HEK293 cell free...
Source: 824
Target: N/A
External Id: SPEC167MR
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958
Name: qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cells
Source: 824
Target: N/A
External Id: SPEC167CG
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 Synonyms

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

4-NITROPHENETOL
1-Ethoxy-4-nitrobenzene
Ethyl p-nitrophenyl ether
4-Nitrophenetole
p-nitroethoxybenzene
EINECS 202-837-9
Ethyl 4-nitrophenyl ether
MFCD00007330
1-Ethoxy-4-nitro-benzene

 1-Ethoxy-4-nitrobenzene | FAQ

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

Q: What is the English name of 1-Ethoxy-4-nitrobenzene?
A: The English name of 1-Ethoxy-4-nitrobenzene is 1-Ethoxy-4-nitrobenzene.
Q: What is the molecular weight of 1-Ethoxy-4-nitrobenzene?
A: Molecular weight of 1-Ethoxy-4-nitrobenzene is 167.162.
Q: What is the polar surface area (PSA) of 1-Ethoxy-4-nitrobenzene?
A: Polar surface area (PSA) of 1-Ethoxy-4-nitrobenzene is 55.05000.
Q: What is the melting point of 1-Ethoxy-4-nitrobenzene?
A: Melting point of 1-Ethoxy-4-nitrobenzene is 56-60 °C.
Q: What English synonyms does 1-Ethoxy-4-nitrobenzene have?
A: English synonyms of 1-Ethoxy-4-nitrobenzene: 4-NITROPHENETOL, 1-Ethoxy-4-nitrobenzene, Ethyl p-nitrophenyl ether, 4-Nitrophenetole, p-nitroethoxybenzene, EINECS 202-837-9, Ethyl 4-nitrophenyl ether, MFCD00007330, 1-Ethoxy-4-nitro-benzene.
Q: What is the SMILES notation of 1-Ethoxy-4-nitrobenzene?
A: SMILES notation of 1-Ethoxy-4-nitrobenzene is CCOc1ccc([N+](=O)[O-])cc1.
Q: What is the molecular formula of 1-Ethoxy-4-nitrobenzene?
A: Molecular formula of 1-Ethoxy-4-nitrobenzene is C8H9NO3.
Q: What is the InChIKey of 1-Ethoxy-4-nitrobenzene?
A: InChIKey of 1-Ethoxy-4-nitrobenzene is NWPKEYHUZKMWKJ-UHFFFAOYSA-N.
Q: What is the safety information for 1-Ethoxy-4-nitrobenzene?
A: Safety information for 1-Ethoxy-4-nitrobenzene: S24/25-S22.
Q: What is the boiling point of 1-Ethoxy-4-nitrobenzene?
A: Boiling point of 1-Ethoxy-4-nitrobenzene is 283.0±0.0 °C at 760 mmHg.

 1-Ethoxy-4-nitrobenzenefactory

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.
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