2-chloro-1-(4-nitrophenoxy)benzene

Modify Date: 2025-09-23 12:31:38

2-chloro-1-(4-nitrophenoxy)benzene Structure
2-chloro-1-(4-nitrophenoxy)benzene structure
Common Name 2-chloro-1-(4-nitrophenoxy)benzene
CAS Number 2091-61-4 Molecular Weight 249.65000
Density 1.358g/cm3 Boiling Point 333.1ºC at 760mmHg
Molecular Formula C12H8ClNO3 Melting Point N/A
MSDS N/A Flash Point 155.2ºC

 Names

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

Name 1-Chloro-2-(4-nitrophenoxy)benzene
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 1.358g/cm3
Boiling Point 333.1ºC at 760mmHg
Molecular Formula C12H8ClNO3
Molecular Weight 249.65000
Flash Point 155.2ºC
Exact Mass 249.01900
PSA 55.05000
LogP 4.56370
Vapour Pressure 0.000271mmHg at 25°C
Index of Refraction 1.614
InChIKey YRXPWHHZVCKCLN-UHFFFAOYSA-N
SMILES O=[N+]([O-])c1ccc(Oc2ccccc2Cl)cc1

 MSDS

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

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: 1-Chloro-2-(4-nitrophenoxy)benzene
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

Section3. Composition/information on ingredients.
Ingredient name:1-Chloro-2-(4-nitrophenoxy)benzene
CAS number:2091-61-4

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not specified
Boiling point:No data
No data
Melting point:
Flash point:No data
Density:No data
Molecular formula:C12H8ClNO3
Molecular weight:249.6

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Toxicological Information

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KN6742000
CHEMICAL NAME :
Ether, o-chlorophenyl p-nitrophenyl
CAS REGISTRY NUMBER :
2091-61-4
BEILSTEIN REFERENCE NO. :
1883196
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H8-Cl-N-O3
MOLECULAR WEIGHT :
249.66
WISWESSER LINE NOTATION :
WNR DOR BG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
100 ug/plate
REFERENCE :
CBINA8 Chemico-Biological Interactions. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1969- Volume(issue)/page/year: 44,133,1983

 Safety Information

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

HS Code 2909309090

 Synthetic Route

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

~93%

2-chloro-1-(4-nitrophenoxy)benzene Structure

2-chloro-1-(4-n...

CAS#:2091-61-4

Learn More
Literature: Khalilzadeh, Mohammad A.; Hosseini, Abolfazl; Pilevar, Afsaneh European Journal of Organic Chemistry, 2011 , # 8 p. 1587 - 1592

~68%

2-chloro-1-(4-nitrophenoxy)benzene Structure

2-chloro-1-(4-n...

CAS#:2091-61-4

Learn More
Literature: Cremlyn, Richard; Montgomery, Stephen; Ng, Yew; Simpson, David Phosphorus and Sulfur and the Related Elements, 1981 , vol. 12, p. 341 - 352

~90%

2-chloro-1-(4-nitrophenoxy)benzene Structure

2-chloro-1-(4-n...

CAS#:2091-61-4

Learn More
Literature: Xu, Hui; Chen, Yang Molecules, 2007 , vol. 12, # 4 p. 861 - 867

~80%

2-chloro-1-(4-nitrophenoxy)benzene Structure

2-chloro-1-(4-n...

CAS#:2091-61-4

Learn More
Literature: Xu, Hui; Chen, Yang Synthetic Communications, 2007 , vol. 37, # 14 p. 2411 - 2420

~%

2-chloro-1-(4-nitrophenoxy)benzene Structure

2-chloro-1-(4-n...

CAS#:2091-61-4

Learn More
Literature: Ikawa Yakugaku Zasshi, 1959 , vol. 79, p. 273,275 Chem.Abstr., 1959 , p. 16043

 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%

 2-chloro-1-(4-nitrophenoxy)benzeneBioassay

View more

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

Name: Growth inhibition of Bipolaris sorokiniana at 50 ug/ml after 4 days by poisoned food ...
Source: ChEMBL
Target: Bipolaris sorokiniana
External Id: CHEMBL3082778
Name: Growth inhibition of Bipolaris sorokiniana at 500 ug/ml after 4 days by poisoned food...
Source: ChEMBL
Target: Bipolaris sorokiniana
External Id: CHEMBL3082779
Name: Growth inhibition of Alternaria brassicae at 50 ug/ml after 4 days by poisoned food t...
Source: ChEMBL
Target: Alternaria brassicae
External Id: CHEMBL3082781
Name: Growth inhibition of Alternaria brassicae at 500 ug/ml after 4 days by poisoned food ...
Source: ChEMBL
Target: Alternaria brassicae
External Id: CHEMBL3082782
Name: Growth inhibition of Fusarium oxysporum f. sp. cucumerinum at 50 ug/ml after 4 days b...
Source: ChEMBL
Target: Fusarium oxysporum f. sp. cucumerinum
External Id: CHEMBL3082783
Name: Growth inhibition of Fusarium oxysporum f. sp. cucumerinum at 500 ug/ml after 4 days ...
Source: ChEMBL
Target: Fusarium oxysporum f. sp. cucumerinum
External Id: CHEMBL3082784
Name: Growth inhibition of Fusarium oxysporum f. sp. vasinfectum at 50 ug/ml after 4 days b...
Source: ChEMBL
Target: Fusarium oxysporum f. sp. vasinfectum
External Id: CHEMBL3082785
Name: Growth inhibition of Fusarium oxysporum f. sp. vasinfectum at 500 ug/ml after 4 days ...
Source: ChEMBL
Target: Fusarium oxysporum f. sp. vasinfectum
External Id: CHEMBL3082786
Name: Growth inhibition of Magnaporthe oryzae at 50 ug/ml after 4 days by poisoned food tec...
Source: ChEMBL
Target: Pyricularia oryzae
External Id: CHEMBL3082787
Name: Growth inhibition of Magnaporthe oryzae at 500 ug/ml after 4 days by poisoned food te...
Source: ChEMBL
Target: Pyricularia oryzae
External Id: CHEMBL3082788
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 Synonyms

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

ETHER,o-CHLOROPHENYL p-NITROPHENYL
2'-chloro-4-nitrodiphenyl ether
2-Chlorophenyl 4'-nitrophenyl ether
EINECS 218-243-8
2'-Chloro-4-nitrobiphenyl ether
o-Chlorophenyl-p-nitrophenylaether

 2-chloro-1-(4-nitrophenoxy)benzene | FAQ

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

Q: What is the LogP of 1-Chloro-2-(4-nitrophenoxy)benzene?
A: LogP of 1-Chloro-2-(4-nitrophenoxy)benzene is 4.56370.
Q: What English synonyms does 1-Chloro-2-(4-nitrophenoxy)benzene have?
A: English synonyms of 1-Chloro-2-(4-nitrophenoxy)benzene: ETHER,o-CHLOROPHENYL p-NITROPHENYL, 2'-chloro-4-nitrodiphenyl ether, 2-Chlorophenyl 4'-nitrophenyl ether, EINECS 218-243-8, 2'-Chloro-4-nitrobiphenyl ether, o-Chlorophenyl-p-nitrophenylaether.
Q: What is the molecular formula of 1-Chloro-2-(4-nitrophenoxy)benzene?
A: Molecular formula of 1-Chloro-2-(4-nitrophenoxy)benzene is C12H8ClNO3.
Q: What is the SMILES notation of 1-Chloro-2-(4-nitrophenoxy)benzene?
A: SMILES notation of 1-Chloro-2-(4-nitrophenoxy)benzene is O=[N+]([O-])c1ccc(Oc2ccccc2Cl)cc1.
Q: What is the English name of 1-Chloro-2-(4-nitrophenoxy)benzene?
A: The English name of 1-Chloro-2-(4-nitrophenoxy)benzene is 1-Chloro-2-(4-nitrophenoxy)benzene.
Q: What is the InChIKey of 1-Chloro-2-(4-nitrophenoxy)benzene?
A: InChIKey of 1-Chloro-2-(4-nitrophenoxy)benzene is YRXPWHHZVCKCLN-UHFFFAOYSA-N.
Q: What is the CAS number of 1-Chloro-2-(4-nitrophenoxy)benzene?
A: CAS number of 1-Chloro-2-(4-nitrophenoxy)benzene is 2091-61-4.
Q: What is the polar surface area (PSA) of 1-Chloro-2-(4-nitrophenoxy)benzene?
A: Polar surface area (PSA) of 1-Chloro-2-(4-nitrophenoxy)benzene is 55.05000.
Q: What is the boiling point of 1-Chloro-2-(4-nitrophenoxy)benzene?
A: Boiling point of 1-Chloro-2-(4-nitrophenoxy)benzene is 333.1ºC at 760mmHg.
Q: What is the molecular weight of 1-Chloro-2-(4-nitrophenoxy)benzene?
A: Molecular weight of 1-Chloro-2-(4-nitrophenoxy)benzene is 249.65000.

 2-chloro-1-(4-nitrophenoxy)benzenefactory

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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