Home > Compound List > Compound details
594-34-3 molecular structure
click picture or here to close

1,2-dibromo-2-methylpropane

ChemBase ID: 150270
Molecular Formular: C4H8Br2
Molecular Mass: 215.91432
Monoisotopic Mass: 213.89927426
SMILES and InChIs

SMILES:
CC(C)(CBr)Br
Canonical SMILES:
BrCC(Br)(C)C
InChI:
InChI=1S/C4H8Br2/c1-4(2,6)3-5/h3H2,1-2H3
InChIKey:
SDTXSEXYPROZSZ-UHFFFAOYSA-N

Cite this record

CBID:150270 http://www.chembase.cn/molecule-150270.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dibromo-2-methylpropane
IUPAC Traditional name
1,2-dibromo-2-methylpropane
Synonyms
1,2-Dibromo-2-methylpropane
1,2-二溴-2-甲基丙烷
CAS Number
594-34-3
EC Number
209-835-7
MDL Number
MFCD00000126
PubChem SID
162244431
24855144
PubChem CID
222657

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
251623 external link Add to cart Please log in.
Data Source Data ID
PubChem 222657 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.568647  LogD (pH = 7.4) 2.568647 
Log P 2.568647  Molar Refractivity 35.6796 cm3
Polarizability 13.929258 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
148-150 °C/763 mmHg(lit.) expand Show data source
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
Density
1.75 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.5093(lit.) expand Show data source
Vapor Pressure
15 mmHg ( 20 °C) expand Show data source
Vapor Density
7.5 (vs air) expand Show data source
RTECS
TX8810000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/21/22-36/37/38-40 expand Show data source
Safety Statements
26-37/39-45 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H315-H319-H332-H335-H351 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 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
Purity
98% expand Show data source
Linear Formula
(CH3)2C(Br)CH2Br expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 251623 external link
Packaging
25 g in glass bottle

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