2,4-Dichloro-3,5-dinitrobenzoic acid
Basic information
- CAS
52729-03-0- Standard SMILES
O=C(O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1Cl- InChIKey
OCJYCLPVZHBZRL-UHFFFAOYSA-N- Molecular formula
- C7H2Cl2N2O6
- Average molar mass
- 281 g/mol
- Monoisotopic mass
- 279.9289912
Names & identifiers
- Preferred name
- 2,4-Dichloro-3,5-dinitrobenzoic acid
- IUPAC
- 2,4-dichloro-3,5-dinitrobenzoic acid
- English name
- 2,4-Dichloro-3,5-dinitrobenzoic acid
- Molecular formula
- C7H2Cl2N2O6
- Molecular weight
- 281.01
Names & synonyms
2,4-Dichloro-3,5-dinitrobenzoic acid52729-03-0EINECS 258-136-3DTXSID60200701NSC 76602RefChem:443263DTXCID50123192258-136-3MFCD00010131NSC-766022,4-Dichloro-3,5-dinitro-benzoic acidC7H2Cl2N2O6
Show more names
LABOTEST-BB LT00159518Benzoic acid, 2,4-dichloro-3,5-dinitro-2 4-DICHLORO-3 5-DINITROBENZOIC ACID 9&2,4-DICHLORO-3,5-DINITROBENZOIC ACID 95+%
NSC766026TW78MTV6QSCHEMBL1478701SCHEMBL3291904BBL008033SBB057209STL119765AKOS005232607
Database identifiers
- CAS
52729-03-0- PubChem CID
- 96497
- DTXSID
DTXSID60200701- UNII
- 6TW78MTV6Q
- EC Number
- 258-136-3
- Nikkaji
- J208.461I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Melting point
- 212 · 212-213 °C(lit.)
- Boiling point
- 433.7 · 433.7±45.0 °C(Predicted)
- Density
- 2.1688 · 2.1688 (rough estimate)
- refractive index
- 1.735 · 1.7350 (estimate)
- pka
- 1.42 · 1.42±0.12(Predicted)
- CAS DataBase Reference
- 52729 · 52729-03-0(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
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
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
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
3 records
Compound notes
Loading…