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Molecule
ID:69529
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₆H₃Br₂Cl
Molecular Mass
270.34902
Exact Mass
267.82900178
Charge
0
InChI
InChI=1S/C6H3Br2Cl/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChIKey
FNKCOUREFBNNHG-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Br)cc(c1)Br
Isomeric Smiles
c1(cc(cc(c1)Br)Br)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.1147957
LogD (pH = 7.4)
4.1147957
Log P
4.1147957
Molar Refractivity
46.1084
Polarizability
18.184967
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
•
MDL Number
•
CAS Number
•
PubChem SID
•
PubChem CID
Properties
•
Safety Information
•
Product Information
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Physical Property
Related Proteins
Molecular Spectra
Molecule Details
•
Sigma Aldrich
References
•
PubChem Literature
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From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
OR4505
Matrix Scientific
075018
Sigma Aldrich
129127
Bide Pharmatech
BD32001
Alfa Aesar
B25411
A&J Pharmtech
AJA-O5084
AJA-O8118
AJA-O8982
Academic Data
PubChem
84676
Names and Identifiers
IUPAC Traditional name
1,3-dibromo-5-chlorobenzene
IUPAC name
1,3-dibromo-5-chlorobenzene
Synonyms
3,5-Dibromochlorobenzene
1-Chloro-3,5-dibromobenzene
1-Chloro-3,5-dibromobenzene
1,3-二溴-5-氯苯
1-氯-3,5-二溴苯
1,3-Dibromo-5-chlorobenzene
1,3-Dibromo-5-chlorobenzene
Registration numbers
MDL Number
MFCD00070765
CAS Number
14862-52-3
PubChem SID
24847886
162035255
PubChem CID
84676
Molecule Details
Sigma Aldrich
129127
Packaging
5 g in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Properties
Safety Information
Storage Warning
IRRITANT
Source
Irritant/Light Sensitive
Source
TSCA Listed
false
Source
否
Source
MSDS Link
Download link
Source
Download link
Source
H315
-
H319
-
H335
Source
Irritant (Xi)
P261
-
P305+P351+P338
Source
P261
-
P305+P351+P338
-
P302+P352
-
P321
-
P405
-P501A
Source
36/37/38
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
3
Source
26
-
36
Source
26
-
37
Source
Warning
Source
dust mask type N95 (US), Eyeshields, Gloves
Source
Product Information
95+%
Source
95%
Source
98%
Source
97%
Source
Br2C6H3Cl
Source
Physical Property
256°C
Source
91-98°C
Source
91-94 °C(lit.)
Source
95-98°C
Source
Source
Source
GHS Hazard statements
European Hazard Symbols
GHS Precautionary statements
Risk Statements
GHS Pictograms
German water hazard class
Safety Statements
GHS Signal Word
Personal Protective Equipment
Purity
Linear Formula
Boiling Point
Melting Point