Molfinder
Home
Support
About Us
Data Source
Statistics
Blogs
Molecule
ID:8733
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₆Br₂F₄
Molecular Mass
307.8658128
Exact Mass
305.83028688
Charge
0
InChI
InChI=1S/C6Br2F4/c7-1-3(9)5(11)2(8)6(12)4(1)10
InChIKey
QFTZULJNRAHOIY-UHFFFAOYSA-N
Canonic Smiles
Fc1c(Br)c(F)c(c(c1F)Br)F
Isomeric Smiles
c1(F)c(F)c(Br)c(c(c1Br)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.0815587
LogD (pH = 7.4)
4.0815587
Log P
4.0815587
Molar Refractivity
42.1692
Polarizability
16.182583
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...
Quote
Download
Navigation
General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Commercial Catalog
•
Academic Data
Names and Identifiers
•
IUPAC name
•
IUPAC Traditional name
•
Synonyms
Registration numbers
Properties
•
Physical Property
•
Safety Information
•
Product Information
Related Proteins
Molecular Spectra
Molecule Details
•
Sigma Aldrich
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
PC2310
Matrix Scientific
004593
Sigma Aldrich
D43859
Alfa Aesar
A18135
Academic Data
PubChem
67653
Names and Identifiers
IUPAC name
1,4-dibromo-2,3,5,6-tetrafluorobenzene
IUPAC Traditional name
1,4-dibromo-2,3,5,6-tetrafluorobenzene
Synonyms
1,4-Dibromotetrafluorobenzene
1,4-二溴四氟苯
1,4-Dibromotetrafluorobenzene
1,4-Dibromotetrafluorobenzene 99%
Registration numbers
MDL Number
MFCD00000309
CAS Number
344-03-6
PubChem SID
160972040
24893866
PubChem CID
67653
EC Number
206-448-5
Properties
Physical Property
Melting Point
78-79°C
Source
78-81 °C(lit.)
Source
78-81°C
Source
Safety Information
MSDS Link
Download link
Source
Download link
Source
Storage Warning
IRRITANT
Source
Irritant
Source
TSCA Listed
false
Source
否
Source
GHS Signal Word
Warning
Source
Safety Statements
26
-
37/39
Source
26
-
37
Source
GHS Hazard statements
H315
-
H319
-
H335
Source
GHS Precautionary statements
P261
-
P305+P351+P338
Source
P261
-
P305+P351+P338
-
P302+P352
-
P321
-
P405
-P501A
Source
Risk Statements
36/37/38
Source
German water hazard class
3
Source
European Hazard Symbols
Irritant (Xi)
Source
GHS Pictograms
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
Source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Source
Product Information
Purity
99%
Source
≥99%
Source
Linear Formula
Br2C6F4
Source
Molecule Details
Sigma Aldrich
D43859
Packaging
5 g in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
MDL Number
•
CAS Number
•
PubChem SID
•
PubChem CID
•
EC Number