2,4-Dichloro-6-nitroaniline
Basic information
- CAS
2683-43-4- Standard SMILES
Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-]- InChIKey
IZEZAMILKKYOPW-UHFFFAOYSA-N- Molecular formula
- C6H4Cl2N2O2
- Average molar mass
- 207.01 g/mol
- Monoisotopic mass
- 205.96498273
Names & identifiers
- Preferred name
- 2,4-Dichloro-6-nitroaniline
- IUPAC
- 2,4-dichloro-6-nitroaniline
- English name
- 2,4-Dichloro-6-nitroaniline
- Molecular formula
- C6H4Cl2N2O2
- Molecular weight
- 207.01
Names & synonyms
2,4-Dichloro-6-nitroaniline2683-43-4Benzenamine, 2,4-dichloro-6-nitro-DTXSID40413617S7EH59H1XNSC-285822,4-Dichloro-6-nitrophenylamineDTXCID2021361RefChem:82363220-241-74,6-Dichloro-2-nitroaniline2-nitro-4,6-dichloroaniline
Show more names
TIMTEC-BB SBB0034792,4-Dichloro-6-nitroaniline,99%2,4-DICHLORO-6-NITROANILINE 99%2,4-DICHLORO-6-NITRO-PHENYLAMINE2,4-DICHLORO-6-NITROANILINE ISO 9001：2015 REACH
MFCD00007664UNII-7S7EH59H1X2,4-dichloro-6-nitrobenzenamine2,4-dichloro-6-nitro-anilineANILINE, 2,4-DICHLORO-6-NITRO-4,6-dichloro-2-nitrophenylamineNSC28582EINECS 220-241-7
Database identifiers
- CAS
2683-43-4- PubChem CID
- 75893
- DTXSID
DTXSID4041361- ChEMBL
CHEMBL3187155- UNII
- 7S7EH59H1X
- EC Number
- 220-241-7
- Nikkaji
- J80.543B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 185
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Collision Cross Section131.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4041361]
Physicochemical properties
- Melting point
- 101 · 101-103 °C (lit.)
- Boiling point
- 360.98 °C · 360.98°C (rough estimate)
- Density
- 1.6257 · 1.6257 (rough estimate)
- refractive index
- 1.61 · 1.6100 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Chloroform (Slightly), DMSO (Slightly)
- form
- Solid
- pka
- 1 · pK1:-3.00(+1) (25°C)
- color
- Yellow to Very Dark Yellow
- BRN
- 642902 · 642902
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
H300 (88.9%): Fatal if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P319, P320, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 1 (88.9%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 2921420090
- risk_code
- 20/21/22-36/37/38-51/53-33-26/27/28
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08,GHS09
- hazard_code
- Xn,N,T+
- safety_code
- 26-37/39-61-45-36/37-28
- hazard_class
- 6.1
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- III
- Hazard statements
- H300+H310+H330-H373-H411
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
Chemistry & industry
Applications
Uses2,4-Dichloro-6-nitroaniline was used to design a faster-reacting, more intensely fluorescent pH probe based on rhodamine spirolactam structure.
Upstream & downstream products
Downstream products
Related reactions
13 records
Compound notes
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