3-Chloro-4-nitroaniline

Modify Date: 2026-07-24 08:14:32

3-Chloro-4-nitroaniline Structure
3-Chloro-4-nitroaniline structure
Common Name 3-Chloro-4-nitroaniline
CAS Number 825-41-2 Molecular Weight 172.569
Density 1.5±0.1 g/cm3 Boiling Point 366.8±22.0 °C at 760 mmHg
Molecular Formula C6H5ClN2O2 Melting Point 158ºC
MSDS N/A Flash Point 175.7±22.3 °C

Summary: 3-Chloro-4-Nitroaniline (CAS号:825-41-2), molecular formula C6H5ClN2O2, molecular weight 172.569. For research-use only, not for medical or clinical usage.


 Names

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

Name 3-Chloro-4-Nitroaniline
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 1.5±0.1 g/cm3
Boiling Point 366.8±22.0 °C at 760 mmHg
Melting Point 158ºC
Molecular Formula C6H5ClN2O2
Molecular Weight 172.569
Flash Point 175.7±22.3 °C
Exact Mass 172.003952
PSA 71.84000
LogP 2.06
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.646
InChIKey LDSIOPGMLLPSSR-UHFFFAOYSA-N
SMILES Nc1ccc([N+](=O)[O-])c(Cl)c1
Storage condition 2-8°C

 MSDS

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

Name: 3-Chloro-4-nitroaniline 97% Material Safety Data Sheet
Synonym:
CAS: 825-41-2
Section 1 - Chemical Product MSDS Name:3-Chloro-4-nitroaniline 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
825-41-2 3-Chloro-4-nitroaniline 97% unlisted
Hazard Symbols: T+ N
Risk Phrases: 26/27/28 33 51/53

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Very toxic by inhalation, in contact with skin and if swallowed.
Danger of cumulative effects. Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Potential Health Effects
Eye:
Causes mild eye irritation.
Skin:
May be fatal if absorbed through the skin. Absorption into the body may cause cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood).
Ingestion:
May be fatal if swallowed. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May be fatal if inhaled.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid immediately. Wash mouth out with water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Dusts at sufficient concentrations can form explosive mixtures with air.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Avoid generating dusty conditions.

Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing.
Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 825-41-2: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula:
Molecular Weight: 172.57

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids, strong bases.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 825-41-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Chloro-4-nitroaniline - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: CHLORONITROANILINES
Hazard Class: 6.1
UN Number: 2237
Packing Group: III
IMO
Shipping Name: CHLORONITROANILINES
Hazard Class: 6.1
UN Number: 2237
Packing Group: III
RID/ADR
Shipping Name: CHLORONITROANILINES
Hazard Class: 6.1
UN Number: 2237
Packing group: III

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T+ N
Risk Phrases:
R 26/27/28 Very toxic by inhalation, in contact with
skin and if swallowed.
R 33 Danger of cumulative effects.
R 51/53 Toxic to aquatic organisms, may cause
long-term adverse effects in the aquatic environment.
Safety Phrases:
S 28 After contact with skin, wash immediately
with...
S 36/37 Wear suitable protective clothing and
gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
S 61 Avoid release to the environment. Refer to
special instructions/safety data sheets.
WGK (Water Danger/Protection)
CAS# 825-41-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 825-41-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 825-41-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

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

Hazard Codes Xi: Irritant;
RIDADR 2811.0
HS Code 2921420090

 Synthetic Route

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

~%

3-Chloro-4-nitroaniline Structure

3-Chloro-4-nitr...

CAS#:825-41-2

Learn More
Literature: Journal of the American Chemical Society, , vol. 68, p. 1322

~74%

3-Chloro-4-nitroaniline Structure

3-Chloro-4-nitr...

CAS#:825-41-2

Learn More
Literature: Makosza, Mieczyslaw; Bialecki, Maciej Journal of Organic Chemistry, 1998 , vol. 63, # 15 p. 4878 - 4888

~73%

3-Chloro-4-nitroaniline Structure

3-Chloro-4-nitr...

CAS#:825-41-2

Learn More
Literature: Ramana; Malik; Parihar Tetrahedron Letters, 2004 , vol. 45, # 47 p. 8681 - 8683

~%

3-Chloro-4-nitroaniline Structure

3-Chloro-4-nitr...

CAS#:825-41-2

Learn More
Literature: Journal of the Chemical Society, , p. 693 Journal of the Chemical Society, , p. 2918; Journal of the Chemical Society, , p. 1419

~70%

3-Chloro-4-nitroaniline Structure

3-Chloro-4-nitr...

CAS#:825-41-2

Learn More
Literature: Bayer Aktiengesellschaft Patent: US5262539 A1, 1993 ;

~%

3-Chloro-4-nitroaniline Structure

3-Chloro-4-nitr...

CAS#:825-41-2

Learn More
Literature: Recueil des Travaux Chimiques des Pays-Bas, , vol. 36, p. 158

~%

3-Chloro-4-nitroaniline Structure

3-Chloro-4-nitr...

CAS#:825-41-2

Learn More
Literature: Justus Liebigs Annalen der Chemie, , vol. 182, p. 108 Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, , vol. 9, p. 110

~%

3-Chloro-4-nitroaniline Structure

3-Chloro-4-nitr...

CAS#:825-41-2

Detail Learn More
Literature: Recueil des Travaux Chimiques des Pays-Bas, , vol. 36, p. 158

~%

3-Chloro-4-nitroaniline Structure

3-Chloro-4-nitr...

CAS#:825-41-2

Detail Learn More
Literature: Journal of the Society of Chemical Industry, London, , vol. 54, p. 282 T

 Customs

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

HS Code 2921420090
Summary HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

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

MFCD00085922
3-Chloro-4-nitrobenzenamine
3-Chloro-4-nitroaniline

 3-Chloro-4-nitroaniline | FAQ

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

Q: What are the storage conditions for 3-Chloro-4-Nitroaniline?
A: Storage conditions for 3-Chloro-4-Nitroaniline: 2-8°C.
Q: What is the molecular formula of 3-Chloro-4-Nitroaniline?
A: Molecular formula of 3-Chloro-4-Nitroaniline is C6H5ClN2O2.
Q: What is the English name of 3-Chloro-4-Nitroaniline?
A: The English name of 3-Chloro-4-Nitroaniline is 3-Chloro-4-Nitroaniline.
Q: What is the SMILES notation of 3-Chloro-4-Nitroaniline?
A: SMILES notation of 3-Chloro-4-Nitroaniline is Nc1ccc([N+](=O)[O-])c(Cl)c1.
Q: What is the CAS number of 3-Chloro-4-Nitroaniline?
A: CAS number of 3-Chloro-4-Nitroaniline is 825-41-2.
Q: What English synonyms does 3-Chloro-4-Nitroaniline have?
A: English synonyms of 3-Chloro-4-Nitroaniline: MFCD00085922, 3-Chloro-4-nitrobenzenamine, 3-Chloro-4-nitroaniline.
Q: What is the molecular weight of 3-Chloro-4-Nitroaniline?
A: Molecular weight of 3-Chloro-4-Nitroaniline is 172.569.
Q: What is the LogP of 3-Chloro-4-Nitroaniline?
A: LogP of 3-Chloro-4-Nitroaniline is 2.06.
Q: What is the polar surface area (PSA) of 3-Chloro-4-Nitroaniline?
A: Polar surface area (PSA) of 3-Chloro-4-Nitroaniline is 71.84000.
Q: What is the boiling point of 3-Chloro-4-Nitroaniline?
A: Boiling point of 3-Chloro-4-Nitroaniline is 366.8±22.0 °C at 760 mmHg.

 3-Chloro-4-nitroanilinefactory

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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