Basic information
- CAS
13534-89-9- Standard SMILES
Brc1cccnc1Br- InChIKey
SLMHHOVQRSSRCV-UHFFFAOYSA-N- Molecular formula
- C5H3Br2N
- Average molar mass
- 236.89 g/mol
- Monoisotopic mass
- 234.8632233
Overview
structure in first source
Names & identifiers
- Preferred name
- 2,3-Dibromopyridine
- IUPAC
- 2,3-dibromopyridine
- English name
- 2,3-Dibromopyridine
- Molecular formula
- C5H3Br2N
- Molecular weight
- 236.89
Names & synonyms
2,3-Dibromopyridine13534-89-9DTXSID40355743RefChem:81577DTXCID50306802626-632-2dibromopyridineMFCD002340142,3-Dibromo-pyridineSCHEMBL212732SLMHHOVQRSSRCV-UHFFFAOYSA-Pyridine, 2,3-dibromo-
Show more names
AKOS 916813-DibroMopyridineAKOS BBS-00001331TIMTEC-BB SBB0032392,3-Dibromopyridine>2,3-DIBROMOPYRIDINE 98%2,3-Dibromopyridine,97+%2,3-Dibromopyridine ,98%
2, 3-Dibromopyridine2,3-Dibromopyridine, 97%SCHEMBL229620SCHEMBL1988858SCHEMBL7171916SCHEMBL29580420CS-D1702SBB003239
Database identifiers
- CAS
13534-89-9- PubChem CID
- 817102
- DTXSID
DTXSID40355743- EC Number
- 626-632-2
- Nikkaji
- J81.634E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 76.8
Physicochemical properties
- Melting point
- 56 · 56-60 °C
- Boiling point
- 249 · 249-250°C
- Density
- 2.0383 · 2.0383 (rough estimate)
- refractive index
- 1.58 · 1.5800 (estimate)
- Flash point
- 249 · 249-250°C
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- -1.57 · -1.57±0.10(Predicted)
- form
- powder to crystal
- color
- White to Light yellow to Light orange
- Water Solubility
- Insoluble in water.
- BRN
- 109828 · 109828
- InChI
- InChI=1S/C5H3Br2N/c6-4-2-1-3-8-5(4)7/h1-3H
- InChIKey
- SLMHHOVQRSSRCV-UHFFFAOYSA-N
- SMILES
- C1(Br)=NC=CC=C1Br
- CAS DataBase Reference
- 13534 · 13534-89-9(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (11.1%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- UN2811
- hs_code
- 29333990
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Harmful/Irritant
- safety_code
- 36/37/39-26-36
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Applications
Uses2,3-Dibromopyridine is used in the synthesis of sbstituted pyridines via bromine-magnesium exchange. It is also used to synthesize halopyridinylboronic acids and esters.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
Related reactions
31 records
Compound notes
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