3'-Chloro-2,4-dinitrodiphenylamine
Basic information
- CAS
16220-58-9- Standard SMILES
O=[N+]([O-])c1ccc(Nc2cccc(Cl)c2)c([N+](=O)[O-])c1- InChIKey
YLMKHXBXDKWQSO-UHFFFAOYSA-N- Molecular formula
- C12H8ClN3O4
- Average molar mass
- 293.66 g/mol
- Monoisotopic mass
- 293.0203334
Names & identifiers
- Preferred name
- 3'-Chloro-2,4-dinitrodiphenylamine
- IUPAC
- N-(3-chlorophenyl)-2,4-dinitroaniline
- English name
- 3'-CHLORO-2,4-DINITRODIPHENYLAMINE
- Molecular formula
- C12H8ClN3O4
- Molecular weight
- 293.66
Names & synonyms
3'-CHLORO-2,4-DINITRODIPHENYLAMINERefChem:484642653-076-816220-58-9N-(3-chlorophenyl)-2,4-dinitroanilineN-(3-CHLOROPHENYL)-2,4-DINITROBENZENAMINEBenzenamine,N-(3-chlorophenyl)-2,4-dinitro-Benzenamine, N-(3-chlorophenyl)-2,4-dinitro-NSC157494DTXSID70167331MFCD00024388AKOS000285979
Show more names
NSC 157494NSC-157494AE-641/30076007
Database identifiers
- CAS
16220-58-9- PubChem CID
- 27757
- DTXSID
DTXSID70167331- EC Number
- 653-076-8
- Nikkaji
- J1.425.583D
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Boiling point
- 431.5 · 431.5±45.0 °C(Predicted)
- Density
- 1.536 · 1.536±0.06 g/cm3(Predicted)
- pka
- -5.52 · -5.52±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H302-H335-H318
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H302-H335-H318
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Suppliers
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Related reactions
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Compound notes
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