5-Bromo-2-butoxypyridine

HCID 18936268CAS 158615-97-5
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCOc1ccc(Br)cn1
InChIKey
RHKWVOXRHVREMU-UHFFFAOYSA-N
Molecular formula
C9H12BrNO
Average molar mass
230.1 g/mol
Monoisotopic mass
229.0102261

Names & identifiers

Preferred name
5-Bromo-2-butoxypyridine
IUPAC
5-bromo-2-butoxypyridine
English name
5-bromo-2-butoxypyridine
Molecular formula
C9H12BrNO
Molecular weight
230.1

Names & synonyms

5-Bromo-2-butoxypyridine158615-97-55-bromo-2-butoxy-pyridine5-bromo-2-n-butoxypyridine5-bromo-2-butyloxypyridinePyridine, 5-bromo-2-butoxy-SCHEMBL3104534DTXSID80596653RHKWVOXRHVREMU-UHFFFAOYSA-NAKOS010632085DB-064235CS-0337034
Show more names
F197585-Bromo-2-butoxypyridine, 158615-97-5, PubChem22137, SureCN3104534, MolPort-013-673-670, RW2947, AKOS010632085, QC-2536, RL02040, AK121870, KB-41965

Database identifiers

CAS
158615-97-5
PubChem CID
18936268
DTXSID
DTXSID80596653

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
22.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
12

Physicochemical properties

Boiling point
253.6 · 253.6±20.0 °C(Predicted)
Density
1.334 · 1.334±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
1.72 · 1.72±0.22(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers11 total

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]

Related reactions

4 records
New reaction record

Linked notes

Loading…