Home > Compound List > Compound details
13294-71-8 molecular structure
click picture or here to close

(2E)-2-bromobut-2-ene

ChemBase ID: 6799
Molecular Formular: C4H7Br
Molecular Mass: 135.00238
Monoisotopic Mass: 133.97311222
SMILES and InChIs

SMILES:
C/C(=C\C)/Br
Canonical SMILES:
C/C=C(/Br)\C
InChI:
InChI=1S/C4H7Br/c1-3-4(2)5/h3H,1-2H3/b4-3+
InChIKey:
UILZQFGKPHAAOU-ONEGZZNKSA-N

Cite this record

CBID:6799 http://www.chembase.cn/molecule-6799.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2E)-2-bromobut-2-ene
IUPAC Traditional name
2-bromo-2-butene (cis)
Synonyms
2-Bromo-2-butene
CAS Number
13294-71-8
MDL Number
MFCD00000141
PubChem SID
160970106
PubChem CID
5364387

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
001598 external link Add to cart Please log in.
Data Source Data ID
PubChem 5364387 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0476887  LogD (pH = 7.4) 2.0476887 
Log P 2.0476887  Molar Refractivity 29.088 cm3
Polarizability 10.608374 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
82-90°C expand Show data source
Density
1.328 expand Show data source
Refractive Index
1.4613 expand Show data source
Storage Warning
FLAMMABLE expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
true expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

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