4-(Pyridin-3-yl)benzaldehyde (HCID 3693046)

Names & identifiers

Preferred name: 4-(Pyridin-3-yl)benzaldehyde
IUPAC: 4-pyridin-3-ylbenzaldehyde
English name: 4-(Pyridin-3-yl)benzaldehyde
Molecular formula: C12H9NO
Molecular weight: 183.21

Names & synonyms

4-(Pyridin-3-yl)benzaldehyde127406-55-7DTXSID70395132RefChem:289409DTXCID30345991625-177-74-Pyridin-3-yl-benzaldehyde4-(3-Pyridyl)benzaldehyde4-(3-Pyridinyl)benzaldehydeBenzaldehyde, 4-(3-pyridinyl)-4-pyridin-3-ylbenzaldehydeMFCD01631910

Show more names

AKOS BAR-0413SALOR-INT L300101-1EA4-(2-Methoxypyridin-3-yl)benzal4-(Pyridin-3-yl)benzaldehyde97%

3-(4-Formylphenyl)pyridineAKOS004114060CS-W019958PS-3597EN300-7455844-pyrid-3-ylbenzaldehydeSCHEMBL6172orb3029564

Database identifiers

CAS: 127406-55-7
PubChem CID: 3693046
DTXSID: DTXSID70395132
EC Number: 625-177-7
Nikkaji: J2.025.330D

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 30 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 185

Physicochemical properties

Melting point: 52 · 52-57 °C
Boiling point: 350.6 · 350.6±25.0 °C(Predicted)
Density: 1.147 · 1.147±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: powder to crystal
pka: 4.47 · 4.47±0.10(Predicted)
color: White to Yellow to Orange
Sensitive: Air Sensitive
InChI: 1S/C12H9NO/c14-9-10-3-5-11(6-4-10)12-2-1-7-13-8-12/h1-9H
InChIKey: NXZUVHZZIZHEOP-UHFFFAOYSA-N
SMILES: [H]C(=O)c1ccc(cc1)-c2cccnc2
CAS DataBase Reference: 127406 · 127406-55-7(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 26 · 26-36/37/39-22
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29333990 · 29333990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 45 reports by companies from 5 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.