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78-75-1 molecular structure
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78-75-1 molecular structure
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1,2-dibromopropane

ChemBase ID: 110956
Molecular Formular: C3H6Br2
Molecular Mass: 201.88774
Monoisotopic Mass: 199.88362419
SMILES and InChIs

SMILES:
 CC(Br)CBr
Canonical SMILES:
 BrCC(Br)C
InChI:
 InChI=1S/C3H6Br2/c1-3(5)2-4/h3H,2H2,1H3
InChIKey:
 XFNJYAKDBJUJAJ-UHFFFAOYSA-N

Cite this record

CBID:110956 http://www.chembase.cn/molecule-110956.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dibromopropane
IUPAC Traditional name
1,2-dibromopropane
Synonyms
Propylene dibromide
1,2-Dibromopropane
1,2-Dibromopropane
PROPYLENE DIBROMIDE
Propylene bromide
1,2-二溴丙烷
1,2-二溴丙烷
CAS Number
78-75-1
EC Number
201-139-1
MDL Number
MFCD00000148
Beilstein Number
1718884
Merck Index
147853
PubChem SID
162096982
24848483
24887957
PubChem CID
6553
Chemspider ID
6305
MeSH Name
1,2-dibromopropane
Wikipedia Title
1,2-Dibromopropane

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Sigma Aldrich 140961 external link Add to cart 82260 external link Add to cart
MP Biomedicals 05217167 external link Add to cart
Alfa Aesar B22994 external link Add to cart
Wikipedia 1,2-Dibromopropane external link
PubChem 6553 external link
Data Source Data ID Price
Sigma Aldrich
140961 external link Add to cart Please log in.
82260 external link Add to cart Please log in.
MP Biomedicals
05217167 external link Add to cart Please log in.
Alfa Aesar
B22994 external link Add to cart Please log in.
Data Source Data ID
Wikipedia 1,2-Dibromopropane external link
PubChem 6553 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors 0  H Donor 0 
LogD (pH = 5.5) 2.2880702  LogD (pH = 7.4) 2.2880702 
Log P 2.2880702  Molar Refractivity 31.0414 cm3
Polarizability 12.187596 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 1  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Colourless liquid expand Show data source
Melting Point
-55 °C(lit.) expand Show data source
-55.45°C (217.7K) expand Show data source
-55°C expand Show data source
Boiling Point
138.85 - 142.85°C (412 - 416 K) expand Show data source
140-142 °C(lit.) expand Show data source
140-142°C expand Show data source
Flash Point
122 °F expand Show data source
35°C(95°F) expand Show data source
50 °C expand Show data source
Density
1.932 expand Show data source
1.937 g mL-1 expand Show data source
1.937 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.519 expand Show data source
1.5200 expand Show data source
n20/D 1.519 expand Show data source
n20/D 1.519(lit.) expand Show data source
Henry Constant
6.7 μmol Pa-1 kg-1 expand Show data source
Heat Capacity
172.8 J K mol-1 expand Show data source
RTECS
TX8574000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
X expand Show data source
Harmful Harmful (Xn) 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
10-20/21/22-36/37/38-40 expand Show data source
10-20/22 expand Show data source
10-20/22-36/38-51/53 expand Show data source
R:22 expand Show data source
R10, R20/21/22, R36/37/38, R40 expand Show data source
Safety Statements
16-23-24/25-26-27-36/37/39-45 expand Show data source
23-24/25 expand Show data source
9-23-26-36/37-57 expand Show data source
S:36/37/39 expand Show data source
S16, S24/25, S26, S27, S36/37/39, S45 expand Show data source
TSCA Listed
是 expand Show data source
GHS Pictograms
GHS exclamation mark expand Show data source
GHS flame expand Show data source
GHS02 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
WARNING expand Show data source
Warning expand Show data source
LD50
741 mg kg-1 (oral, rat) expand Show data source
GHS Hazard statements
226, 302, 332 expand Show data source
H226-H302-H332 expand Show data source
H330-H302-H315-H319-H226-H411-H401 expand Show data source
GHS Precautionary statements
P210-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P405-P501A 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
≥98.0% (GC) expand Show data source
97% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CH3CHBrCH2Br expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05217167 external link
MP Biomedicals Rare Chemical collection
Wikipedia.org - 1,2-Dibromopropane external link
Sigma Aldrich - 140961 external link
Packaging
100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

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