CAS 40034-44-4 3-(4-Pyridyl)aniline (HCID 459523)

Names & identifiers

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

Names & synonyms

40034-44-43-(4-Pyridyl)anilineEINECS 254-760-53-(4-Pyridinyl)benzenamineDTXSID50193092RefChem:493404DTXCID60115583254-760-53-pyridin-4-ylaniline3-(Pyridin-4-yl)aniline4-(3-Aminophenyl)pyridineBenzenamine, 3-(4-pyridinyl)-

Show more names

AKOS BAR-2461Compound Fr121123-(4-PYRIDINYL)ANILINE3-(PYRINDIN-4-YL)ANILINE3-(Pyridin-4-yl)aniline97%

MFCD009567583-(4-pyridyl)phenylamine3-pyridin-4-yl-phenylamine3-(pyridin-4-yl)benzenamine3-(4-Pyridinyl)-benzenamine3-(4-Pyridyl) aniline4-(m-Aminophenyl)pyridineSCHEMBL583534

Database identifiers

CAS: 40034-44-4
PubChem CID: 459523
DTXSID: DTXSID50193092
ChEBI: CHEBI:195078
EC Number: 254-760-5
Nikkaji: J89.332C

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: 152

Physicochemical properties

Melting point: 167 °C · 167 °C
Boiling point: 353.6 · 353.6±25.0 °C(Predicted)
Density: 1.133 · 1.133±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 5.33 · 5.33±0.26(Predicted)
form: solid
color: Light brown
InChI: 1S/C11H10N2/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-8H,12H2
InChIKey: BDSBSHZVSVKIHM-UHFFFAOYSA-N
SMILES: Nc1cccc(c1)-c2ccncc2
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317-H319
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22-36
Safety Statements: 26 · 26
WGK Germany: 3 · WGK 3
Hazard Note: Harmful
HS Code: 2933399990 · 2933399990
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): 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 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (50%)；Acute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)

Safety data

wgk: WGK 3
hs_code: 2933399990
risk_code: 22-36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
hazard_note: Harmful
safety_code: 26
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H317-H319
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications

Uses4-(3-Aminophenyl)pyridine is a reactant in the preparation of N-alkylphenylalaninamides of pyridinylphenyl- and oxobipyridinylamines as human GPR 142 agonists for potential use as antidiabetic agents.