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Molecule
ID:13670
Structure
Similarity
Functional Group
Text
General Information
Structure
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Molecular Formula
C₅H₃Br₂N
Molecular Mass
236.89202
Exact Mass
234.8632231
Charge
0
InChI
InChI=1S/C5H3Br2N/c6-4-2-1-3-8-5(4)7/h1-3H
InChIKey
SLMHHOVQRSSRCV-UHFFFAOYSA-N
Canonic Smiles
Brc1ncccc1Br
Isomeric Smiles
c1cnc(c(c1)Br)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4985998
LogD (pH = 7.4)
2.4986007
Log P
2.4986007
Molar Refractivity
39.9889
Polarizability
15.481576
Polar Surface Area
12.89
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 name
•
Synonyms
•
IUPAC Traditional name
Registration numbers
Properties
•
Safety Information
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Product Information
•
Physical Property
Related Proteins
Molecular Spectra
Molecule Details
•
Sigma Aldrich
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
OR4486
Matrix Scientific
011110
Sigma Aldrich
705462
Alfa Aesar
L19527
Chemik
CHH00180
Bide Pharmatech
BD9517
A&J Pharmtech
AJA-O39477
Academic Data
PubChem
817102
Names and Identifiers
IUPAC name
2,3-dibromopyridine
Synonyms
2,3-Dibromopyridine
2,3-二溴吡啶
2,3-Dibromopyridine
2,3-Dibromo Pyridine
IUPAC Traditional name
2,3-dibromopyridine
Registration numbers
PubChem SID
160976977
PubChem CID
817102
CAS Number
13534-89-9
MDL Number
MFCD00234014
Beilstein Number
109828
Properties
Safety Information
MSDS Link
Download link
Source
Download link
Source
Storage Warning
IRRITANT, IRRITANT-HARMFUL
Source
Harmful/Irritant/Keep Cold
Source
TSCA Listed
false
Source
否
Source
GHS Precautionary statements
P261
-
P305+P351+P338
Source
P261
-
P301+P310
-
P305+P351+P338
-
P361
-
P405
-P501A
Source
GHS Signal Word
Warning
Source
European Hazard Symbols
Irritant (Xi)
Source
Harmful (X)
Source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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
Acute toxicity (oral, dermal, inhalation), categories 1,2,3
Source
Risk Statements
36/37/38
Source
20/21/22
-
36/37/38
Source
Safety Statements
26
-
36
Source
26
-
36/37
Source
German water hazard class
3
Source
GHS Hazard statements
H315
-
H319
-
H335
Source
H301
-
H311
-
H332
-
H315
-
H319
-
H335
Source
Product Information
Purity
98%
Source
97%
Source
Empirical Formula (Hill Notation)
C5H3Br2N
Source
Physical Property
Melting Point
56-60°C
Source
56-60 °C
Source
58-60°C
Source
Boiling Point
249-250°C
Source
249-250°C
Source
Molecule Details
Sigma Aldrich
705462
Packaging
1, 5 g in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
PubChem SID
•
PubChem CID
•
CAS Number
•
MDL Number
•
Beilstein Number
Irritant (Xi)
Harmful (X)
