4-(Pyridin-3-yl)aniline

HCID 459522

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Basic information

CAS: 82261-42-5
Standard SMILES: Nc1ccc(-c2cccnc2)cc1
InChIKey: DKFDPLVNPGJNDE-UHFFFAOYSA-N
Molecular formula: C11H10N2
Average molar mass: 170.21 g/mol
Monoisotopic mass: 170.08439833

Names & identifiers

Preferred name: 4-(Pyridin-3-yl)aniline
IUPAC: 4-pyridin-3-ylaniline
English name: 4-(3-Pyridyl)aniline
Molecular formula: C11H10N2
Molecular weight: 170.21

Names & synonyms

4-(pyridin-3-yl)anilineRefChem:516832674-609-04-pyridin-3-ylaniline82261-42-54-(3-Pyridyl)aniline4-pyridin-3-yl-phenylamine3-(4-aminophenyl)pyridineMFCD00956763Benzenamine, 4-(3-pyridinyl)-4-Pyridin-3-yl aniline4-Pyridin-3-ylphenylamine

Show more names

2-Pyridyl-4-aniline4-(3-Pyridyl)aminobenzene4-（3-pyridyl）benzeneamine4-(3-Pyridinyl)benzenamine

4-(3-pyridinyl)aniline4-(3-pyridyl)phenylamine3-(p-Aminophenyl)pyridine4-(pyridine-3-yl)aniline3-(4'-aminophenyl)pyridine3-(4-aminophenyl)-pyridine4-(Pyridin-3-yl)phenylamineSCHEMBL225149

Database identifiers

CAS: 82261-42-5
PubChem CID: 459522
DTXSID: DTXSID30332669
ChEBI: CHEBI:195076
EC Number: 674-609-0
Nikkaji: J35.831B

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 150

Physicochemical properties

Melting point: 115 °C · 115 °C
Boiling point: 333 ℃ · 333℃
Density: 1.133 · 1.133
Flash point: 182 ℃ · 182℃
storage temp.: 2 · 2-8°C
form: crystalline powder
pka: 5.54 · 5.54±0.10(Predicted)
color: Yellow
Symbol(GHS): 8 · GHS08
Signal word: Warning
Hazard statements: 341 · H341-H351-H402
Precautionary statements: 501 · P501-P273-P202-P201-P280-P308+P313-P405
Hazard Codes: Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36/37/39-22
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.