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77613-65-1 molecular structure
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2-(bromomethyl)-1,1-difluorocyclopropane

ChemBase ID: 54698
Molecular Formular: C4H5BrF2
Molecular Mass: 170.9833064
Monoisotopic Mass: 169.9542686
SMILES and InChIs

SMILES:
C1(C(C1)(F)F)CBr
Canonical SMILES:
BrCC1CC1(F)F
InChI:
InChI=1S/C4H5BrF2/c5-2-3-1-4(3,6)7/h3H,1-2H2
InChIKey:
TUDJNSKRXIUOAJ-UHFFFAOYSA-N

Cite this record

CBID:54698 http://www.chembase.cn/molecule-54698.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(bromomethyl)-1,1-difluorocyclopropane
IUPAC Traditional name
2-(bromomethyl)-1,1-difluorocyclopropane
Synonyms
1-Bromomethyl-2,2-difluorocyclopropane
1-Bromomethyl-2,2-difluorocyclopropane
(2,2-Difluorocycloprop-1-yl)methyl bromide
2-(Bromomethyl)-1,1-difluorocyclopropane
CAS Number
77613-65-1
MDL Number
MFCD06797749
PubChem SID
162059461
PubChem CID
2761402

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6643734  LogD (pH = 7.4) 1.6643734 
Log P 1.6643734  Molar Refractivity 26.4176 cm3
Polarizability 10.144948 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
105-107°C expand Show data source
108-109°C expand Show data source
Storage Warning
Flammable/Lachrymatory/Irritant expand Show data source
European Hazard Symbols
X expand Show data source
UN Number
UN1992 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
3 expand Show data source
Packing Group
III expand Show data source
Risk Statements
10-20/21/22 expand Show data source
Safety Statements
9-36/37-60 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS06 expand Show data source
GHS Hazard statements
H331-H302-H312-H226 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P302+P352-P405-P501A expand Show data source
Purity
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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