CAS 886365-02-2 5-Bromo-4-methylpyridine-2-carboxylic acid (HCID 45790031)

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Basic information

CAS: 886365-02-2
Standard SMILES: Cc1cc(C(=O)O)ncc1Br
InChIKey: RMSVDYVOLGRLNJ-UHFFFAOYSA-N
Molecular formula: C7H6BrNO2
Average molar mass: 216.03 g/mol
Monoisotopic mass: 214.95819053

Names & identifiers

Preferred name: 5-Bromo-4-methylpyridine-2-carboxylic acid
IUPAC: 5-bromo-4-methylpyridine-2-carboxylic acid
English name: 5-BROMO-4-METHYL-PYRIDINE-2-CARBOXYLIC ACID
Molecular formula: C7H6BrNO2
Molecular weight: 216.03

Names & synonyms

5-Bromo-4-methylpyridine-2-carboxylic acid886365-02-2DTXSID90672174RefChem:301911DTXCID00622923692-871-45-Bromo-4-methylpicolinic acid5-bromo-4-methyl-pyridine-2-carboxylic acidMFCD073751005-Bromo-2-carboxy-4-methylpyridine5-BROMO-4-METHYL-2-PYRIDINECARBOXYLIC ACID5-Bromo-4-methylpyridine-2-carboxylicacid

Show more names

5-bromo-4-methylpyridin-2-carboxylic acid2-carboxylic acid-4-methyl-5-bromopyridine2-Pyridinecarboxylic acid, 5-bromo-4-methyl-5-Bromo-4-methylpicolinic acid, 5-Bromo-2-carboxy-4-methylpyridine

SCHEMBL1180456RMSVDYVOLGRLNJ-UHFFFAOYSA-NCS-D1645AKOS015919950AB41173FS-3082DA-19296SY031506

Database identifiers

CAS: 886365-02-2
PubChem CID: 45790031
DTXSID: DTXSID90672174
EC Number: 692-871-4

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 50.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 163

Physicochemical properties

Boiling point: 335 · 335.0±42.0 °C(Predicted)
Density: 1.692 · 1.692±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 3.48 · 3.48±0.10(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

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, P317, 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.