Basic information
- CAS
958813-15-5- Standard SMILES
O=C(O)c1ccc(Oc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1- InChIKey
OBLMPDYQGQXOHY-UHFFFAOYSA-N- Molecular formula
- C13H7Cl2NO5
- Average molar mass
- 328.1 g/mol
- Monoisotopic mass
- 326.9701277
Names & identifiers
- Preferred name
- 4-(3,4-Dichlorophenoxy)-3-nitrobenzoic acid
- IUPAC
- 4-(3,4-dichlorophenoxy)-3-nitrobenzoic acid
Names & synonyms
4-(3,4-dichlorophenoxy)-3-nitrobenzoic acid958813-15-5RefChem:512835887-230-299585-43-0Benzoic acid, 4-(3,4-dichlorophenoxy)-3-nitro-4-(3,4-DICHLOROPHENOXY)-3-NITRO-BENZOIC ACIDDTXSID50244139AKOS0089635764-(3,4-dichlorophenoxy)-3-nitrobenzoicacidEN300-342118G40970
Show more names
Z55984311
Database identifiers
- CAS
958813-15-5、99585-43-0- PubChem CID
- 514865
- DTXSID
DTXSID50244139- EC Number
- 887-230-2
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 403
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…