Methyl 2-(3-bromopyridin-4-yl)acetate
Basic information
- CAS
162615-12-5- Standard SMILES
COC(=O)Cc1ccncc1Br- InChIKey
AMMJWCPUBIBZEG-UHFFFAOYSA-N- Molecular formula
- C8H8BrNO2
- Average molar mass
- 230.06 g/mol
- Monoisotopic mass
- 228.97384
Names & identifiers
- Preferred name
- Methyl 2-(3-bromopyridin-4-yl)acetate
- IUPAC
- methyl 2-(3-bromo-4-pyridinyl)acetate
- English name
- methyl 2-(3-bromopyridin-4-yl)acetate
- Molecular formula
- C8H8BrNO2
- Molecular weight
- 230.06
Names & synonyms
Methyl 2-(3-bromopyridin-4-yl)acetate162615-12-5DTXSID80454704RefChem:353828DTXCID70405523846-108-9Methyl 2-(3-bromo-4-pyridyl)acetateMFCD100000713-Bromo-4-pyridineacetic acid methyl esterMethyl (3-bromo-4-pyridinyl)acetateSCHEMBL20517285MGA61512
Show more names
Methyl 3-bromo-4-pyridineacetate
Methyl (3-bromopyridin-4-yl)acetateAKOS027425950Methyl2-(3-bromopyridin-4-yl)acetateCS-16692SY420802DB-082437CS-01022024-Pyridineacetic acid, 3-bromo-, methyl ester
Database identifiers
- CAS
162615-12-5- PubChem CID
- 11085583
- DTXSID
DTXSID80454704- EC Number
- 846-108-9
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 281 · 281.0±25.0 °C(Predicted)
- Density
- 1.517 · 1.517±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- form
- liquid
- pka
- 2.87 · 2.87±0.18(Predicted)
- color
- Colourless to light yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P302+P352-P305+P351+P338
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P302+P352-P305+P351+P338
Suppliers
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Related reactions
0 records
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Compound notes
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