4-(1-Butylpentyl)pyridine

HCID 76296

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Basic information

CAS: 2961-47-9
Standard SMILES: CCCCC(CCCC)c1ccncc1
InChIKey: ATCGHKBXRIOBDX-UHFFFAOYSA-N
Molecular formula: C14H23N
Average molar mass: 205.34 g/mol
Monoisotopic mass: 205.18304974

Names & identifiers

Preferred name: 4-(1-Butylpentyl)pyridine
IUPAC: 4-nonan-5-ylpyridine
English name: 4-(5-Nonyl)pyridine
Molecular formula: C14H23N
Molecular weight: 205.34

Names & synonyms

4-(5-Nonyl)pyridine2961-47-94-(nonan-5-yl)pyridine4-(1-Butylpentyl)pyridinePyridine, 4-(1-butylpentyl)-5-(4-Pyridyl)nonane3UZ0RR6POXEINECS 220-993-6DTXSID2062745RefChem:510293DTXCID7038028220-993-6

Show more names

Nonylpyridine4-(Nonan-5-yl)4-(5-Nonyl)pyridine>4-(Nonan-5-yl)pyridine4-(5-NONYL)PYRIDINE 96+%4-(1-butylpentyl)-pyridin4-(1-butylphenyl)pyridine

4-nonan-5-ylpyridineMFCD000107104-(Butylpentyl)pyridineUNII-3UZ0RR6POXSCHEMBL63764ATCGHKBXRIOBDX-UHFFFAOYSA-SB55152SY055175

Database identifiers

CAS: 2961-47-9
PubChem CID: 76296
DTXSID: DTXSID2062745
UNII: 3UZ0RR6POX
EC Number: 220-993-6
Nikkaji: J208.798G

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 7
Heavy atoms: 15
Formal charge: 0
Complexity: 130

Physicochemical properties

Boiling point: 267 °C · 267 °C
Density: 0.89 · 0.89
refractive index: 1.483 · 1.4830-1.4870
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
CAS DataBase Reference: 2961 · 2961-47-9(CAS DataBase Reference)
FDA UNII: 3 UZ0RR6POX · 3UZ0RR6POX
EPA Substance Registry System: 4 · 4-(1-Butylpentyl)pyridine (2961-47-9)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
TSCA: TSCA listed
HS Code: 2933.39 · 2933.39.9200

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

tsca: TSCA listed
hs_code: 2933.39.9200
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313