2,6-Dinitroaniline
Basic information
- CAS
606-22-4- Standard SMILES
Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-]- InChIKey
QFUSCYRJMXLNRB-UHFFFAOYSA-N- Molecular formula
- C6H5N3O4
- Average molar mass
- 183.12 g/mol
- Monoisotopic mass
- 183.02800564
Names & identifiers
- Preferred name
- 2,6-Dinitroaniline
- IUPAC
- 2,6-dinitroaniline
- English name
- 2,6-Dinitroaniline
- Molecular formula
- C6H5N3O4
- Molecular weight
- 183.12
Names & synonyms
2,6-Dinitroaniline606-22-4Benzenamine, 2,6-dinitro-2,6-DinitrobenzenamineAniline, 2,6-dinitro-CCRIS 3108EINECS 210-108-1NSC 93399BRN 22148868W27G0QBD7AI3-52363NSC-93399
Show more names
NCI-C607532.6-Dinitr6-Dinitroaniline2，6-Dinitroanilin202,6-DINITROANILINELecithin Impurity 212,6-Dinitroaniline,98%
DTXSID702094022,6-DINITROANILINE [MI]RefChem:445772DTXCID50131893Benzenamine, 2,6-dinitro-(9CI)210-108-1MFCD00007148UNII-8W27G0QBD7
Database identifiers
- CAS
606-22-4- PubChem CID
- 69070
- DTXSID
DTXSID70209402- UNII
- 8W27G0QBD7
- EC Number
- 210-108-1
- Nikkaji
- J55.369G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 199
Experimental & physicochemical properties
LogP1.79
Physicochemical properties
- Melting point
- 134 °C · 134 °C (dec.) (lit.)
- Boiling point
- 316.77 °C · 316.77°C (rough estimate)
- Density
- 1.6188 · 1.6188 (rough estimate)
- refractive index
- 1.691 · 1.6910 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- form
- Crystalline Powder or Crystals
- pka
- 1 · pK1:-5.23(+1) (25°C)
- color
- White to off-white
- Water Solubility
- practically insoluble
- Merck
- 14 · 14,3271
- BRN
- 2214886 · 2214886
- InChIKey
- QFUSCYRJMXLNRB-UHFFFAOYSA-N
- CAS DataBase Reference
- 606 · 606-22-4(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 W27G0QBD7 · 8W27G0QBD7
- NIST Chemistry Reference
- 2 · Benzenamine, 2,6-dinitro-(606-22-4)
- Comptox DTXSID
- 70209402 · DTXSID70209402
- Symbol(GHS)
- 6 · GHS06,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 300 · H300+H310+H330-H373-H411
- Precautionary statements
- 262 · P262-P273-P280-P302+P352+P310-P304+P340+P310-P314
- Hazard Codes
- T,T+
- Risk Statements
- 23 · 23/24/25-33-44-26/27/28
- Safety Statements
- 28 · 28-37-45-36/37-28A
- RIDADR
- 1596 · UN 1596 6.1/PG 2
- WGK Germany
- 2 · 2
- RTECS
- 9200000 · BX9200000
- HazardClass
- 6.1 · 6.1
- PackingGroup
- II
- HS Code
- 2921420090 · 2921420090
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
H301 (89.6%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P319, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (89.6%)
Safety data
- wgk
- 2
- rtecs
- BX9200000
- ridadr
- UN 1596 6.1/PG 2
- hs_code
- 2921420090
- risk_code
- 23/24/25-33-44-26/27/28
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08,GHS09
- hazard_code
- T,T+
- safety_code
- 28-37-45-36/37-28A
- hazard_class
- 6.1
- packing_group
- II
- Hazard statements
- H300+H310+H330-H373-H411
- Precautionary statements
- P262-P273-P280-P302+P352+P310-P304+P340+P310-P314
Chemistry & industry
Applications
Uses2,6-Dinitroaniline is used for organic synthesis intermediates, dyes intermediates, used in the preparation of 2,6-dinitroiodobenzene. It act as a precursor for various new 1,2,3-trisubstituted halobenzene derivatives.
General Description2,6-Dinitroaniline is a dinitroaniline. It serves as precursor to various new 1,2,3-trisubstituted halobenzene derivatives.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
17 records
Compound notes
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