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3,5-Dibromosalicylaldoxime

HCID 548439
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Basic information

CAS
21386-43-6
Standard SMILES
ON=Cc1cc(Br)cc(Br)c1O
InChIKey
LRNICNSWROUZCF-UHFFFAOYSA-N
Molecular formula
C7H5Br2NO2
Average molar mass
294.93 g/mol
Monoisotopic mass
292.8687

Names & identifiers

Preferred name
3,5-Dibromosalicylaldoxime
IUPAC
2,4-dibromo-6-(hydroxyiminomethyl)phenol
English name
3,5-Dibromosalicylaldoxime
Molecular formula
C7H5Br2NO2
Molecular weight
294.93

Names & synonyms

3,5-Dibromosalicylaldoxime21386-43-62,4-DIBROMO-6-[(HYDROXYIMINO)METHYL]PHENOL2,4-DIBROMO-6-((HYDROXYIMINO)METHYL)PHENOLDTXSID30425626RefChem:486673DTXCID10376460678-387-62,4-dibromo-6-(hydroxyiminomethyl)phenol2,4-dibromo-6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one3,5-DibromsalicylaldoximSCHEMBL9723587
Show more names
Dibromosalycyladoxime3,5-Dibromosalycyladoxime3,5-Dibromosalicylaldoxime >3,5-Dibromosalicylaldehyde oxime3,5-DIBROMO-2-HYDROXYBENZALDEHYDE OXIMEBenzaldehyde, 3,5-dibromo-2-hydroxy-, oxime
3,5-dibromo-2-hydroxy-benzaldehyde oximeD0210

Database identifiers

CAS
21386-43-6
PubChem CID
548439
EC Number
678-387-6

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
52.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
Formal charge
0
Complexity
177

Physicochemical properties

Melting point
227 °C · 227 °C
Boiling point
325.5 · 325.5±42.0 °C(Predicted)
Density
2.09 · 2.09±0.1 g/cm3(Predicted)
pka
6.98 · 6.98±0.50(Predicted)
form
powder to crystal
color
White to Light yellow
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319
Precautionary statements
264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
HS Code
2928 · 2928.00.2500

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 · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code
2928.00.2500
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319
Precautionary statements
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Upstream & downstream products

Upstream raw materials

3,5-DibromosalicylaldehydeSalicylaldehyde

Related reactions

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Compound notes

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