Basic information
- Standard SMILES
Cc1cccc(Br)n1- InChIKey
SOHDPICLICFSOP-UHFFFAOYSA-N- Molecular formula
- C6H6BrN
- Average molar mass
- 172.02 g/mol
- Monoisotopic mass
- 170.96836129
Names & identifiers
- Preferred name
- 2-Bromo-6-methylpyridine
- IUPAC
- 2-bromo-6-methylpyridine
- English name
- 2-Bromo-6-methylpyridine
- Molecular formula
- C6H6BrN
- Molecular weight
- 172.02
Names & synonyms
Show more names
Database identifiers
- CAS
5315-25-3- PubChem CID
- 79205
- DTXSID
DTXSID70201229- EC Number
- 226-173-4
- Nikkaji
- J297.999C
Properties
Computed structural properties
- XLogP
- 1.8
- 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
- 74.9
Physicochemical properties
- Boiling point
- 102 · 102-103 °C/20 mmHg (lit.)
- Density
- 1.512 g/mL · 1.512 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.562(lit.)
- Flash point
- 207 °F · 207 °F
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform, Ethyl Aceate
- form
- Liquid
- pka
- 1.51 · 1.51±0.10(Predicted)
- Specific Gravity
- 1.512 · 1.512
- color
- Clear colorless to yellow
- Water Solubility
- Soluble in chloroform, ethyl aceate. Not miscible or difficult to mix with water.
- BRN
- 107322 · 107322
- InChI
- InChI=1S/C6H6BrN/c1-5-3-2-4-6(7)8-5/h2-4H,1H3
- InChIKey
- SOHDPICLICFSOP-UHFFFAOYSA-N
- SMILES
- C1(Br)=NC(C)=CC=C1
- CAS DataBase Reference
- 5315 · 5315-25-3(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29333990 · 29333990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (11.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 51 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
CSL Reaction Information
CSL00076
3-CHLOROPEROXYBENZOIC ACID + 2-BROMO-6-METHYLPYRIDINE
exploded on the rotovap after work up
Explosive
User-Reported
7/8/18
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-Bromo-6-methylpyridine may be used in the synthesis of the following:6,6′-dimethyl-2,2′-bipyridine6-methyl-2-pyridyl-2-pyridylmethanone2-methyl-6-(trimethylsilyl)-pyridineN,N′-bis-(6-methylpyrid-2-yl)-(1R,2R)-1,2- diaminocyclohexane (cydiampy)2-methyl-6-(trimethylstannanyl)pyridine2-(6-methylpyridin-2-yl)propan-2-olbis[(2-bromo-6-methylpyridinium)hexafluorosilicate] monohydrate
Uses2-Bromo-6-methylpyridine is a halogenated pyridine derivative used is a building block in the preparation of nitrogen containing heterocyclic compounds.
General Description2-Bromo-6-methylpyridine is a bromopyridine derivative. It is formed when 2-chloro-6-methylpyridine is heated with bromotrimethylsilane. Its synthesis from various methods have been reported.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
Linked notes
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