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Molecule
ID:8715
Structure
Similarity
Functional Group
Text
General Information
Structure
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Molecular Formula
C₆H₄Br₂
Molecular Mass
235.90396
Exact Mass
233.86797413
Charge
0
InChI
InChI=1S/C6H4Br2/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKey
WQONPSCCEXUXTQ-UHFFFAOYSA-N
Canonic Smiles
Brc1ccccc1Br
Isomeric Smiles
c1ccc(c(c1)Br)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.510751
LogD (pH = 7.4)
3.510751
Log P
3.510751
Molar Refractivity
41.3036
Polarizability
16.17848
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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Quote
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General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Commercial Catalog
•
Academic Data
Names and Identifiers
•
IUPAC Traditional name
•
IUPAC name
•
Synonyms
Registration numbers
Properties
•
Safety Information
•
Physical Property
•
Product Information
Related Proteins
Molecular Spectra
Molecule Details
•
MP Biomedicals
•
Sigma Aldrich
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
OR13221
Matrix Scientific
004566
MP Biomedicals
05207731
Sigma Aldrich
D39002
33971
Bide Pharmatech
BD40895
Alfa Aesar
A14765
Academic Data
PubChem
11414
Names and Identifiers
IUPAC Traditional name
1,2-dibromobenzene
IUPAC name
1,2-dibromobenzene
Synonyms
1,2-Dibromobenzene
1,2-Dibromobenzene 98%
o-DIBROMOBENZENE
1,2-Dibromobenzene
1,2-二溴苯
1,2-二溴代苯
o-Dibromobenzene
Registration numbers
EC Number
209-507-3
CAS Number
583-53-9
Beilstein Number
970241
PubChem SID
24860668
160972022
24893794
MDL Number
MFCD00000057
PubChem CID
11414
Molecule Details
MP Biomedicals
05207731
MP Biomedicals Rare Chemical collection
Sigma Aldrich
D39002
Packaging
5, 25, 100 g in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
EC Number
•
CAS Number
•
Beilstein Number
•
PubChem SID
•
MDL Number
•
PubChem CID
Properties
Safety Information
TSCA Listed
true
Source
是
Source
MSDS Link
Download link
Source
Download link
Source
Download link
Source
Download link
Source
IRRITANT
Source
Irritant/Light Sensitive
Source
26
-
36
Source
26
-
37
-
61
Source
P261
-
P305+P351+P338
Source
P280G-
P273
-
P305+P351+P338
Source
36/37/38
Source
36/38
-
51/53
Source
3
Source
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Warning
Source
Irritant (Xi)
H315
-
H319
-
H335
Source
H315
-
H319
-
H227
-
H401
-
H411
Source
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Source
UN3082
Source
III
Source
9
Source
Physical Property
1.6110
Source
1.611
Source
n20/D 1.611(lit.)
Source
n20/D 1.611
Source
1.956
Source
1.956 g/mL at 25 °C(lit.)
Source
1.985
Source
Product Information
98%
Source
≥97.0% (GC)
Source
Download link
Source
C6H4Br2
Source
purum
Source
Source
Hazardous to the aquatic environment
Acute hazard, category1
Chronic hazard, categories 1,2
Source
Source
Nature polluting (N)
Source
Boiling Point
224°C
Source
224 °C(lit.)
Source
224-226°C
Source
Melting Point
4-6°C
Source
4-6 °C(lit.)
Source
4-6°C
Source
Flash Point
91°C
Source
92 °C
Source
197.6 °F
Source
91°C(195°F)
Source
Vapor Density
8.2 (vs air)
Source
Apperance
brown-yellow
Source
Storage Warning
Safety Statements
GHS Precautionary statements
Risk Statements
German water hazard class
GHS Pictograms
GHS Signal Word
European Hazard Symbols
GHS Hazard statements
Personal Protective Equipment
UN Number
Packing Group
Hazard Class
Refractive Index
Density
Purity
Certificate of Analysis
Empirical Formula (Hill Notation)
Grade