Home > Compound List > Compound details
39232-85-4 molecular structure
click picture or here to close

5-bromo-2-chloropyridine

ChemBase ID: 10027
Molecular Formular: C5H3BrClN
Molecular Mass: 192.44102
Monoisotopic Mass: 190.91373878
SMILES and InChIs

SMILES:
c1c(ncc(c1)Br)Cl
Canonical SMILES:
Clc1ccc(cn1)Br
InChI:
InChI=1S/C5H3BrClN/c6-4-1-2-5(7)8-3-4/h1-3H
InChIKey:
PEAOEIWYQVXZMB-UHFFFAOYSA-N

Cite this record

CBID:10027 http://www.chembase.cn/molecule-10027.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-2-chloropyridine
IUPAC Traditional name
5-bromo-2-chloropyridine
Synonyms
5-Bromo-2-chloropyridine
5-Bromo-2-chloropyridine 99%
5-Bromo-2-chloropyridine
5-溴-2-氯吡啶
CAS Number
39232-85-4
53939-30-3
EC Number
000-000-0
MDL Number
MFCD01318951
Beilstein Number
108887
PubChem SID
24879237
160973334
PubChem CID
2734414

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3485475  LogD (pH = 7.4) 2.348548 
Log P 2.348548  Molar Refractivity 37.39 cm3
Polarizability 14.334081 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
65-69 °C(lit.) expand Show data source
65-69°C expand Show data source
68-72°C expand Show data source
72-74°C expand Show data source
Hydrophobicity(logP)
2.334 expand Show data source
Storage Warning
Irritant expand Show data source
IRRITANT, IRRITANT-HARMFUL expand Show data source
European Hazard Symbols
X expand Show data source
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/21/22-36/37/38 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-36/37 expand Show data source
TSCA Listed
true expand Show data source
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H301-H311-H332-H315-H319-H335 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P361-P405-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C5H3BrClN expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 551902 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle