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75415-78-0 molecular structure
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1,2-dibromocyclopent-1-ene

ChemBase ID: 76922
Molecular Formular: C5H6Br2
Molecular Mass: 225.90914
Monoisotopic Mass: 223.88362419
SMILES and InChIs

SMILES:
BrC1=C(CCC1)Br
Canonical SMILES:
BrC1=C(Br)CCC1
InChI:
InChI=1S/C5H6Br2/c6-4-2-1-3-5(4)7/h1-3H2
InChIKey:
PNWFXPGGROADNS-UHFFFAOYSA-N

Cite this record

CBID:76922 http://www.chembase.cn/molecule-76922.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dibromocyclopent-1-ene
IUPAC Traditional name
1,2-dibromocyclopent-1-ene
Synonyms
1,2-Dibromocyclopentene
1,2-Dibromocyclopent-1-ene 98+%
1,2-二溴环戊烯
CAS Number
75415-78-0
MDL Number
MFCD00010246
PubChem SID
24856753
162041821
PubChem CID
4438528

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4438528 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3520489  LogD (pH = 7.4) 2.3520489 
Log P 2.3520489  Molar Refractivity 39.498 cm3
Polarizability 14.792834 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
78 °C/5 mmHg(lit.) expand Show data source
78°C/5mm expand Show data source
Flash Point
>113 °C expand Show data source
>113°C expand Show data source
>235.4 °F expand Show data source
Density
1.895 expand Show data source
1.895 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.5558 expand Show data source
n20/D 1.5558(lit.) expand Show data source
Storage Warning
Irritant/Keep Cold expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C5H6Br2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 277320 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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