3,5-Dichloro-2-methoxybenzaldehyde
Basic information
- CAS
76008-04-3- Standard SMILES
COc1c(Cl)cc(Cl)cc1C=O- InChIKey
OYKSTJSVNQYCRE-UHFFFAOYSA-N- Molecular formula
- C8H6Cl2O2
- Average molar mass
- 205.03 g/mol
- Monoisotopic mass
- 203.9744848
Names & identifiers
- Preferred name
- 3,5-Dichloro-2-methoxybenzaldehyde
- IUPAC
- 3,5-dichloro-2-methoxybenzaldehyde
- English name
- 3,5-dichloro-2-methoxybenzaldehyde(SALTDATA: FREE)
- Molecular formula
- C8H6Cl2O2
- Molecular weight
- 205.04
Names & synonyms
3,5-dichloro-2-methoxybenzaldehyde76008-04-3DTXSID20394014RefChem:271646DTXCID40344874894-484-8MFCD00629322Benzaldehyde, 3,5-dichloro-2-methoxy-3,5-dichloro-2-methoxybenzaldehyde(SALTDATA: FREE)ARONIS013178ZINC01512522SCHEMBL6413771
Show more names
ST5411862
SCHEMBL31551028OYKSTJSVNQYCRE-UHFFFAOYSA-NALBB-0253513,5-dichloro-2-methoxy-benzaldehydeSBB072280STK392792AKOS000410807LS-08509
Database identifiers
- CAS
76008-04-3- PubChem CID
- 3597540
- DTXSID
DTXSID20394014- EC Number
- 894-484-8
- Nikkaji
- J2.784.730G
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 87 · 87-88 °C
- Boiling point
- 290.7 · 290.7±35.0 °C(Predicted)
- Density
- 1.376 · 1.376±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
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, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses3,5-Dichloro-2-methoxybenzaldehyde is used to detect magnesium in drinking water by fluorometry.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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