2,6-Dibromopyridin-3-ol

HCID 81077CAS 6602-33-1

Substructure search Find similar structures

Basic information

Standard SMILES: Oc1ccc(Br)nc1Br
InChIKey: RKOLKIWJSXSHLV-UHFFFAOYSA-N
Molecular formula: C5H3Br2NO
Average molar mass: 252.89 g/mol
Monoisotopic mass: 250.85813792

Names & identifiers

Preferred name: 2,6-Dibromopyridin-3-ol
IUPAC: 2,6-dibromopyridin-3-ol
English name: 2,6-DIBROMO-3-HYDROXYPYRIDINE
Molecular formula: C5H3Br2NO
Molecular weight: 252.89

Names & synonyms

6602-33-12,6-Dibromopyridin-3-ol2,6-dibromo-3-pyridinolEINECS 229-548-0DTXSID30216238RefChem:445344DTXCID30138729229-548-02,6-Dibromo-3-hydroxypyridineMFCD013184793-Pyridinol, 2,6-dibromo-SCHEMBL2144037

Show more names

2,6-DIBROMO-3-HYDROXYPYRIDINE ISO 9001：2015 REACH

CS-W023062D5174EN300-73837122,6-Dibromo-3-hydFT-0648675A867548SCHEMBL29769758AKOS015835829

Database identifiers

CAS: 6602-33-1
PubChem CID: 81077
DTXSID: DTXSID30216238
EC Number: 229-548-0
Nikkaji: J225.213I

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 33.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 101

Physicochemical properties

Melting point: 164 to · 164.0 to 168.0 °C
Boiling point: 369.3 · 369.3±37.0 °C(Predicted)
Density: 2.228 · 2.228±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: soluble in Methanol
form: powder to crystal
pka: 3.86 · 3.86±0.10(Predicted)
color: White to Light yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H302-H319
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): 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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2933399990
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H315-H302-H319
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362