CAS 13472-60-1 3,5-Dibromo-2-methoxypyridine (HCID 13567752)

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Basic information

CAS: 13472-60-1
Standard SMILES: COc1ncc(Br)cc1Br
InChIKey: MBMQYTQCUCQJEH-UHFFFAOYSA-N
Molecular formula: C6H5Br2NO
Average molar mass: 266.92 g/mol
Monoisotopic mass: 264.87379

Names & identifiers

Preferred name: 3,5-Dibromo-2-methoxypyridine
IUPAC: 3,5-dibromo-2-methoxypyridine
English name: 2-Methoxy-3,5-dibromo-pyridine
Molecular formula: C6H5Br2NO
Molecular weight: 266.92

Names & synonyms

3,5-DIBROMO-2-METHOXYPYRIDINE13472-60-1DTXSID30544003RefChem:91423DTXCID00494788687-297-62-METHOXY-3,5-DIBROMO-PYRIDINE3,5-dibromo-2-methoxy-pyridineMFCD05663709Pyridine, 3,5-dibromo-2-methoxy-SCHEMBL18827893,5-dibromo-2-(methyloxy)pyridine

Show more names

Dopaquinone Monomer3-methyl-5-nitropyridin-3-amine2-METHOXY-5-PICOLINE (2-METHOXY-5-METHYLPYRIDINE)2-METHOXY-3,5-DIBROMO-PYRIDINE ISO 9001：2015 REACH

BCP22172CS-W003229DS-11150D5099A8068312-Methoxy-3,5-dibromopyridineFT-0648074ALPHA-CYANO-4-HYDROXYCIN

Database identifiers

CAS: 13472-60-1
PubChem CID: 13567752
DTXSID: DTXSID30544003
EC Number: 687-297-6

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 22.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 112

Physicochemical properties

Melting point: 46 · 46-51℃
Boiling point: 235.7 · 235.7±35.0 °C(Predicted)
Density: 1.919 · 1.919±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: soluble in Methanol
form: powder to crystal
pka: -1.31 · -1.31±0.20(Predicted)
color: White to Orange to Green
InChI: 1S/C6H5Br2NO/c1-10-6-5(8)2-4(7)3-9-6/h2-3H,1H3
InChIKey: MBMQYTQCUCQJEH-UHFFFAOYSA-N
SMILES: COc1ncc(Br)cc1Br
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H318

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)；Eye Dam. 1 (97.6%)

Safety data

wgk: 1
ridadr: UN 2811
hs_code: 2933399990
risk_code: 36/37/38-41-22
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi,Xn
hazard_note: Harmful
safety_code: 26-36-45
hazard_class: IRRITANT
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H302-H318
Hazard Classifications