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5158-50-9 molecular structure
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bromodimethylborane

ChemBase ID: 153073
Molecular Formular: C2H6BBr
Molecular Mass: 120.78404
Monoisotopic Mass: 119.97459259
SMILES and InChIs

SMILES:
B(C)(C)Br
Canonical SMILES:
CB(Br)C
InChI:
InChI=1S/C2H6BBr/c1-3(2)4/h1-2H3
InChIKey:
ABQPEYRVNHDPIO-UHFFFAOYSA-N

Cite this record

CBID:153073 http://www.chembase.cn/molecule-153073.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bromodimethylborane
IUPAC Traditional name
bromodimethylborane
Synonyms
Dimethylboron bromide
Bromodimethylborane
二甲基溴化硼
CAS Number
5158-50-9
MDL Number
MFCD00000053
Beilstein Number
1730828
PubChem SID
24858114
162247213
PubChem CID
123224

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 123224 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9873  LogD (pH = 7.4) 1.9873 
Log P 1.9873  Molar Refractivity 20.2954 cm3
Polarizability 9.107724 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)
Apperance
Liquid expand Show data source
Melting Point
-129 °C(lit.) expand Show data source
-129°C expand Show data source
Boiling Point
31-32 °C(lit.) expand Show data source
31-32°C expand Show data source
Flash Point
-34.6 °F expand Show data source
-37°C(-35°F) expand Show data source
Density
1.238 expand Show data source
1.238 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.399 expand Show data source
Vapor Pressure
10.4 psi ( 20 °C) expand Show data source
Storage Warning
Air & Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
UN2845 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
4.2 expand Show data source
Packing Group
I expand Show data source
Risk Statements
17-34 expand Show data source
Safety Statements
16-26-27-36/37/39-45 expand Show data source
7-26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H224-H250-H314 expand Show data source
H250-H314-H318 expand Show data source
GHS Precautionary statements
P210-P222-P231-P280-P305 + P351 + P338-P422 expand Show data source
P210-P303+P361+P353-P305+P351+P338-P405-P422A-P501A expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US) expand Show data source
RID/ADR
UN 2845 4.2/PG 1 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
97% expand Show data source
Linear Formula
(CH3)2BBr expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 303305 external link
Packaging
25 g in Sure/Seal™

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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