4-Benzhydrylpyridine

HCID 77252

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 3678-72-6
Standard SMILES: c1ccc(C(c2ccccc2)c2ccncc2)cc1
InChIKey: ZWLWOTHDIGRTNE-UHFFFAOYSA-N
Molecular formula: C18H15N
Average molar mass: 245.3 g/mol
Monoisotopic mass: 245.12044948

Names & identifiers

Preferred name: 4-Benzhydrylpyridine
IUPAC: 4-benzhydrylpyridine
English name: 4-Diphenylmethylpyridine
Molecular formula: C18H15N
Molecular weight: 245.32

Names & synonyms

4-(Diphenylmethyl)pyridine4-Benzhydrylpyridine3678-72-6Diphenyl-4-pyridylmethanePyridine, 4-(diphenylmethyl)-EINECS 222-955-4NSC 60655DTXSID3063128RefChem:518404DTXCID0039229222-955-44-Diphenylmethylpyridine

Show more names

4-(diphenylmethyl)-pyridinDiphenyl-4-pyridylmethane 99%4-(DIPHENYLMETHYL)PYRIDINE HYDROCHLORIDE 99%

4-Benzhydryl-pyridineMLS002693296CHEMBL150045NSC-60655NSC606554-Benzhydrylpyridine #4-diphenylmethyl pyridineBH8XS6N9JA

Database identifiers

CAS: 3678-72-6
PubChem CID: 77252
DTXSID: DTXSID3063128
ChEMBL: CHEMBL150045
UNII: BH8XS6N9JA
EC Number: 222-955-4
Nikkaji: J205.592I

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 226

Physicochemical properties

Melting point: 124 · 124-126 °C (lit.)
Boiling point: 178 · 178-184 °C(Press: 2 Torr)
Density: 1.085 · 1.085±0.06 g/cm3(Predicted)
form: crystals
pka: 5.54 · 5.54±0.10(Predicted)
InChI: 1S/C18H15N/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-14,18H
InChIKey: ZWLWOTHDIGRTNE-UHFFFAOYSA-N
SMILES: c1ccc(cc1)C(c2ccccc2)c3ccncc3
EPA Substance Registry System: 4 · 4-(Diphenylmethyl)pyridine (3678-72-6)
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
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
TSCA: TSCA listed
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.