Basic information
- Standard SMILES
Cc1cc(Br)ccn1- InChIKey
JFBMFWHEXBLFCR-UHFFFAOYSA-N- Molecular formula
- C6H6BrN
- Average molar mass
- 172.02 g/mol
- Monoisotopic mass
- 170.96836129
Names & identifiers
- Preferred name
- 4-Bromo-2-methylpyridine
- IUPAC
- 4-bromo-2-methylpyridine
- English name
- 4-Bromo-2-methylpyridine
- Molecular formula
- C6H6BrN
- Molecular weight
- 172.02
Names & synonyms
4-Bromo-2-methylpyridine22282-99-1DTXSID20376496RefChem:290771DTXCID20327524624-896-34-Bromo-2-picoline2-Methyl-4-bromopyridine4-bromo-2-methyl-pyridineMFCD037881964-bromo-2-methyl pyridine4bromo-2-methylpyridine
Show more names
-4-bromopyridineCHEMBRDG-BB 40141014-BROMO-2-PICOLINE HCL4-BROMO-METHYL-PYRIDINE4-Bromo-2-methylpyridie4-bormo-2-methylpyridine4-BroMo-2-Methylpyridine0
4-bromo-2-methylpyridin4-bromo-6-methylpyridineCHEMBL2087645HY-W007447Pyridine, 4-bromo-2-methyl-AN-584/434133204-bromopicolineBCP22098
Database identifiers
- CAS
22282-99-1- PubChem CID
- 2762835
- DTXSID
DTXSID20376496- ChEMBL
CHEMBL2087645- EC Number
- 624-896-3
- Nikkaji
- J2.921.672J
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
- Melting point
- 26 · 26-27°
- Boiling point
- 76 °C · 76 °C / 14mmHg
- Density
- 1.45 g/mL · 1.450 g/mL at 25 °C
- refractive index
- 20 · n 20/D 1.556
- Flash point
- 174 °F · 174 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Dichloromethane
- form
- Pale Yellow Liquid
- pka
- 4.38 · 4.38±0.10(Predicted)
- color
- Colorless to Light yellow to Light orange
- Water Solubility
- Miscible with dichloromethane. Immiscible with water.
- InChI
- InChI=1S/C6H6BrN/c1-5-4-6(7)2-3-8-5/h2-4H,1H3
- InChIKey
- JFBMFWHEXBLFCR-UHFFFAOYSA-N
- SMILES
- C1(C)=NC=CC(Br)=C1
- CAS DataBase Reference
- 22282 · 22282-99-1(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P264-P280-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-37/38-41-36/37/38-20/21/22
- Safety Statements
- 26 · 26-36/39-36
- RIDADR
- 1993 · NA 1993 / PGIII
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29333990 · 29333990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (96%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (96%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- NA 1993 / PGIII
- hs_code
- 29333990
- risk_code
- 22-37/38-41-36/37/38-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36/39-36
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses4-Bromo-2-methylpyridine is used as a starting material in the preparation of crown-ester-bipyridines and viologens through sodium or nickel reductive coupling, side chain oxidation and esterification. Further, it serves as an important raw material and intermediate in organic synthesis, pharmaceuticals, agrochemicals and in dyes.
Uses4-Bromo-2-methylpyridine is a starting material used in a synthesis of crown-ester-bipyridines and viologens via sodium or nickel reductive coupling, side chain oxidation and esterification.
UsesUsed in the preparation of phenyloxadiazolyl pyridines as immunomodulating agents.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
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Related reactions
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