Home > Compound List > Compound details
22117-86-8 molecular structure
click picture or here to close

dibromo(2H2)methane

ChemBase ID: 146745
Molecular Formular: CH2Br2
Molecular Mass: 173.83458
Monoisotopic Mass: 171.85232406
SMILES and InChIs

SMILES:
C(Br)Br
Canonical SMILES:
BrCBr
InChI:
InChI=1S/CH2Br2/c2-1-3/h1H2
InChIKey:
FJBFPHVGVWTDIP-UHFFFAOYSA-N

Cite this record

CBID:146745 http://www.chembase.cn/molecule-146745.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dibromo(2H2)methane
IUPAC Traditional name
dibromo(2H2)methane
Synonyms
Methylene-d2 bromide
Dibromomethane-d2
二溴甲烷-d2
CAS Number
22117-86-8
MDL Number
MFCD00000169
PubChem SID
24855677
162240937
PubChem CID
11137644

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11137644 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0393913  LogD (pH = 7.4) 1.0393913 
Log P 1.0393913  Molar Refractivity 22.0715 cm3
Polarizability 8.768689 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
99 °C(lit.) expand Show data source
Density
2.505 g/mL at 25 °C expand Show data source
Refractive Index
n20/D 1.5381(lit.) expand Show data source
Vapor Pressure
34.9 mmHg ( 20 °C) expand Show data source
Vapor Density
5.9 (vs air) expand Show data source
Mass Shift
M+2 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
UN Number
2664 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
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
20-52/53 expand Show data source
Safety Statements
24-61 expand Show data source
61 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H332-H412 expand Show data source
GHS Precautionary statements
P273 expand Show data source
RID/ADR
UN 2664 6.1/PG 3 expand Show data source
Isotopic Purity
99 atom % D expand Show data source
Contains
copper as stabilizer expand Show data source
Mol. Weight
mol wt 175.83 by atom % calculation expand Show data source
Linear Formula
CD2Br2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 259020 external link
Packaging
5 g in ampule

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