3-Chloro-4-nitrobenzaldehyde
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Basic information
- CAS
57507-34-3- Standard SMILES
O=Cc1ccc([N+](=O)[O-])c(Cl)c1- InChIKey
LINXIPJBQRYFHA-UHFFFAOYSA-N- Molecular formula
- C7H4ClNO3
- Average molar mass
- 185.56 g/mol
- Monoisotopic mass
- 184.98797067
Names & identifiers
- Preferred name
- 3-Chloro-4-nitrobenzaldehyde
- IUPAC
- 3-chloro-4-nitrobenzaldehyde
- English name
- 3-CHLORO-4-NITROBENZALDEHYDE
- Molecular formula
- C7H4ClNO3
- Molecular weight
- 185.56
Names & synonyms
3-chloro-4-nitrobenzaldehyde57507-34-3DTXSID70396169RefChem:278343DTXCID00347028623-337-0MFCD00968938Benzaldehyde, 3-chloro-4-nitro-3-chloro-4-nitro-benzaldehydeSCHEMBL3113789SCHEMBL10348032LINXIPJBQRYFHA-UHFFFAOYSA-N
Show more names
CL8314AKOS006280797FC67667RS-1013DA-23788SY191879CS-0063901EN300-74280
Database identifiers
- CAS
57507-34-3- PubChem CID
- 3769779
- DTXSID
DTXSID70396169- EC Number
- 623-337-0
- Nikkaji
- J699.582I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 261 · P261-P280-P305+P351+P338-P304+P340-P405-P501
- HS Code
- 2913000090 · 2913000090
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- hs_code
- 2913000090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P261-P280-P305+P351+P338-P304+P340-P405-P501
Chemistry & industry
Applications
Uses3-Chloro-4-nitrobenzaldehyde acts as a reagent for the synthetic preparation of [(pyridinyl)oxadiazolyl]ethanone derivatives and the deteremination of their activity as antioxidants.
Related reactions
4 records
Compound notes
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