CAS 1048678-21-2 Methyl 5-bromo-3-(bromomethyl)pyridine-2-carboxylate (HCID 58171990)

Substructure search Find similar structures

Basic information

CAS: 1048678-21-2
Standard SMILES: COC(=O)c1ncc(Br)cc1CBr
InChIKey: CPWMCAMLRLHDAT-UHFFFAOYSA-N
Molecular formula: C8H7Br2NO2
Average molar mass: 308.95 g/mol
Monoisotopic mass: 306.88435

Names & identifiers

Preferred name: Methyl 5-bromo-3-(bromomethyl)pyridine-2-carboxylate
IUPAC: methyl 5-bromo-3-(bromomethyl)pyridine-2-carboxylate
English name: CPWMCAMLRLHDAT-UHFFFAOYSA-N
Molecular formula: C8H7Br2NO2
Molecular weight: 308.95

Names & synonyms

1048678-21-2METHYL 5-BROMO-3-(BROMOMETHYL)PYRIDINE-2-CARBOXYLATERefChem:816946893-508-4Methyl 5-bromo-3-(bromomethyl)picolinateMFCD18251169SCHEMBL289465SCHEMBL30745103CPWMCAMLRLHDAT-UHFFFAOYSA-NYRB67821AKOS027337939AB74361

Show more names

5-Bromo-3-bromomethyl-pyridine-2-carboxylic acid methyl ester2-Pyridinecarboxylic acid, 5-bromo-3-(bromomethyl)-, methyl ester

Methyl5-bromo-3-(bromomethyl)picolinateAS-48430SY270171DB-320037F30936EN300-7422480F501064F1916-0241

Database identifiers

CAS: 1048678-21-2
PubChem CID: 58171990
EC Number: 893-508-4

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 39.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 189

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.