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137-43-9 molecular structure
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bromocyclopentane

ChemBase ID: 69527
Molecular Formular: C5H9Br
Molecular Mass: 149.02896
Monoisotopic Mass: 147.98876229
SMILES and InChIs

SMILES:
C1(CCCC1)Br
Canonical SMILES:
BrC1CCCC1
InChI:
InChI=1S/C5H9Br/c6-5-3-1-2-4-5/h5H,1-4H2
InChIKey:
BRTFVKHPEHKBQF-UHFFFAOYSA-N

Cite this record

CBID:69527 http://www.chembase.cn/molecule-69527.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bromocyclopentane
IUPAC Traditional name
cyclopentane, bromo-
Synonyms
Bromocyclopentane
Bromocyclopentane
Cyclopentyl bromide
Cyclopentyl bromide
Bromocyclopentane
Cyclopentylbromide
环戊基溴
溴代环戊烷
CAS Number
137-43-9
EC Number
205-294-6
MDL Number
MFCD00001359
Beilstein Number
1209256
PubChem SID
24892365
162035253
PubChem CID
8728

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.376212  LogD (pH = 7.4) 2.376212 
Log P 2.376212  Molar Refractivity 30.709 cm3
Polarizability 11.960424 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
137-139 °C(lit.) expand Show data source
137-139°C expand Show data source
137-139°C expand Show data source
Flash Point
107.6 °F expand Show data source
42 °C expand Show data source
42°C expand Show data source
42°C(107°F) expand Show data source
Density
1.39 g/mL at 25 °C(lit.) expand Show data source
1.390 expand Show data source
Refractive Index
1.4880 expand Show data source
1.4881 expand Show data source
n20/D 1.488(lit.) expand Show data source
n20/D 1.489 expand Show data source
Storage Warning
Flammable expand Show data source
IRRITANT expand Show data source
UN Number
1993 expand Show data source
UN1993 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
10 expand Show data source
Safety Statements
23-24/25 expand Show data source
60 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226 expand Show data source
GHS Precautionary statements
P261 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1993 3/PG 3 expand Show data source
Purity
≥98% expand Show data source
≥98.0% (GC) expand Show data source
95+% expand Show data source
98% expand Show data source
98+% expand Show data source
Grade
purum expand Show data source
Contains
silver wool as stabilizer expand Show data source
Empirical Formula (Hill Notation)
C5H9Br expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - C115207 external link
Packaging
25, 100, 250 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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