3-(1H-Pyrrol-1-yl)aniline

Modify Date: 2026-07-08 20:04:38

3-(1H-Pyrrol-1-yl)aniline Structure
3-(1H-Pyrrol-1-yl)aniline structure
Common Name 3-(1H-Pyrrol-1-yl)aniline
CAS Number 89353-42-4 Molecular Weight 158.200
Density 1.1±0.1 g/cm3 Boiling Point 323.4±25.0 °C at 760 mmHg
Molecular Formula C10H10N2 Melting Point 43-44ºC
MSDS N/A Flash Point 149.4±23.2 °C

 Names

Name 3-pyrrol-1-ylaniline
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 323.4±25.0 °C at 760 mmHg
Melting Point 43-44ºC
Molecular Formula C10H10N2
Molecular Weight 158.200
Flash Point 149.4±23.2 °C
Exact Mass 158.084396
PSA 30.95000
LogP 1.80
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.602
InChIKey PJGDCPOPSNUYHC-UHFFFAOYSA-N
SMILES Nc1cccc(-n2cccc2)c1

 MSDS

Name: 3-(1H-Pyrrol-1-yl)aniline 97% Material Safety Data Sheet
Synonym:
CAS: 89353-42-4
Section 1 - Chemical Product MSDS Name:3-(1H-Pyrrol-1-yl)aniline 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
89353-42-4 3-(1H-Pyrrol-1-yl)aniline unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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

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.
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.

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 89353-42-4: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Not available.
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: Powder
Color: beige
Odor: mild odor - faint odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 43 - 45 deg C
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: C10H10N2
Molecular Weight: 158.2

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

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 89353-42-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-(1H-Pyrrol-1-yl)aniline - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 89353-42-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 89353-42-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 89353-42-4 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Hazard Codes Xi: Irritant;
Risk Phrases R36/37/38
Safety Phrases 26-36/37/39-37/39
HS Code 2933990090

 Synthetic Route

~64%

3-(1H-Pyrrol-1-yl)aniline Structure

3-(1H-Pyrrol-1-...

CAS#:89353-42-4

Learn More
Literature: Zhang, Xingxian; Shi, Junchen Tetrahedron, 2011 , vol. 67, # 5 p. 898 - 903

~89%

3-(1H-Pyrrol-1-yl)aniline Structure

3-(1H-Pyrrol-1-...

CAS#:89353-42-4

Learn More
Literature: Ma, Heng-Chang; Jiang, Xuan-Zhen Journal of Organic Chemistry, 2007 , vol. 72, # 23 p. 8943 - 8946

~49%

3-(1H-Pyrrol-1-yl)aniline Structure

3-(1H-Pyrrol-1-...

CAS#:89353-42-4

Learn More
Literature: Corelli; Massa; Stefancich; Artico; Panico; Simonetti Farmaco, Edizione Scientifica, 1984 , vol. 39, # 2 p. 95 - 109

~%

3-(1H-Pyrrol-1-yl)aniline Structure

3-(1H-Pyrrol-1-...

CAS#:89353-42-4

Learn More
Literature: Farmaco, Edizione Scientifica, , vol. 39, # 2 p. 95 - 109

~27%

3-(1H-Pyrrol-1-yl)aniline Structure

3-(1H-Pyrrol-1-...

CAS#:89353-42-4

Learn More
Literature: Asian Journal of Chemistry, , vol. 25, # 1 p. 501 - 504

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 3-(1H-Pyrrol-1-yl)anilineBioassay

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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH 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: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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
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 Synonyms

MFCD03407309
3-(1-pyrrolyl)aniline
1-(3-aminophenyl)pyrrole
1-(3-aminophenyl)-1H-pyrrole
3-(pyrrol-1-yl)aniline
3-(1H-Pyrrol-1-yl)aniline
3-pyrrolylphenylamine
3-Pyrrol-1-yl-phenylamine
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