Basic information
- Standard SMILES
Cc1cccc(CBr)n1- InChIKey
WJFDCFHWFHCLIW-UHFFFAOYSA-N- Molecular formula
- C7H8BrN
- Average molar mass
- 186.05 g/mol
- Monoisotopic mass
- 184.98401136
Names & identifiers
- Preferred name
- 2-(Bromomethyl)-6-methylpyridine
- IUPAC
- 2-(bromomethyl)-6-methylpyridine
- English name
- 2-(Bromomethyl)-6-methylpyridine
- Molecular formula
- C7H8BrN
- Molecular weight
- 186.05
Names & synonyms
2-(Bromomethyl)-6-methylpyridine68470-59-7DTXSID50501956RefChem:253370DTXCID40452766627-782-12-Bromomethyl-6-methylpyridineMFCD04967229pyridine, 2-(bromomethyl)-6-methyl-2-(bromomethyl)-6-methyl-pyridine2-bromomethyl-6-methyl-pyridine2-methyl-6-bromomethyl-pyridine
Show more names
AKOS B016008ART-CHEM-BB B016008Bromomethyl)-6-methylpyridine6-Methyl-2-(bromomethyl)pyridine2-(BroMoMethyl)-6-Methylpyridine 97%2-(Bromomethyl)-6-methylpyridine ,97%Pyridine, 2-(bromomethyl)-6-methyl- (6CI, 9CI)2-(Bromomethyl)-6-methylpyridine ISO 9001：2015 REACH
2-(bromomethyl)-6-methyl pyridineCS-W0082512-(Bromomethyl)-6-methylpyridine, 97%WJFDFT-0651819SCHEMBL5155SCHEMBL6903641SCHEMBL29419394
Database identifiers
- CAS
68470-59-7- PubChem CID
- 12543733
- DTXSID
DTXSID50501956- EC Number
- 627-782-1
- Nikkaji
- J2.062.753K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85
Physicochemical properties
- Melting point
- 38 · 38-42 °C
- Boiling point
- 209.9 · 209.9±25.0 °C(Predicted)
- Density
- 1.448 · 1.448±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- solid
- pka
- 4.16 · 4.16±0.12(Predicted)
- Appearance
- Off-white to pink Solid
- Sensitive
- Air Sensitive
- InChI
- InChI=1S/C7H8BrN/c1-6-3-2-4-7(5-8)9-6/h2-4H,5H2,1H3
- InChIKey
- WJFDCFHWFHCLIW-UHFFFAOYSA-N
- SMILES
- C1(CBr)=NC(C)=CC=C1
- 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
- 280 · P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-37/38-41
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3335 · UN 3335
- WGK Germany
- 3 · 3
- HS Code
- 29333990 · 29333990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- UN 3335
- hs_code
- 29333990
- risk_code
- 22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
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