Basic information
- CAS
6293-83-0- Standard SMILES
Nc1ccc([N+](=O)[O-])cc1I- InChIKey
LOLSEMNGXKAZBZ-UHFFFAOYSA-N- Molecular formula
- C6H5IN2O2
- Average molar mass
- 264.02 g/mol
- Monoisotopic mass
- 263.9395754
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Iodo-4-nitroaniline
- IUPAC
- 2-iodo-4-nitroaniline
- English name
- 2-Iodo-4-nitroaniline
- Molecular formula
- C6H5IN2O2
- Molecular weight
- 264.02
Names & synonyms
2-Iodo-4-nitroaniline6293-83-0DTXSID60278682RefChem:87659DTXCID80229838627-788-4Benzenamine, 2-iodo-4-nitro-2-iodo-4-nitrobenzenamineMFCD009557582-iodo-4-nitrophenylamine2-amino-5-nitro-iodobenzene2-Iodo-4-nitroaniline, 97%
Show more names
2-Iodo-4-nitroaniline>2-Iodo-4-nitrophenylaMine2-IODO-4-NITROANILINE 974-Amino-3-iodonitrobenzene2-IODO-4-NITROANILINE(CAS:6293-83-0)2-Iodo-4-nitroaniline ISO 9001：2015 REACH3-phenylmethoxy-N-[3-(trifluoromethoxy)phenyl]benzamide
CL8397AS-8396SY023995I0878EN300-1396702-iodo-4-nitro-anilineNSC9179AM84080
Database identifiers
- CAS
6293-83-0- PubChem CID
- 222629
- DTXSID
DTXSID60278682- EC Number
- 627-788-4
- Nikkaji
- J519.025H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 159
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 105 · 105-109 °C (lit.)
- Boiling point
- 377.6 · 377.6±27.0 °C(Predicted)
- Density
- 2.278 g/cm3 · 2.278 g/cm3
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- Methanol
- pka
- -1.18 · -1.18±0.10(Predicted)
- form
- Solid
- color
- Yellow
- λmax
- 360 nm · 360nm(MeOH)(lit.)
- Stability
- Light Sensitive
- InChI
- InChI=1S/C6H5IN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2
- InChIKey
- LOLSEMNGXKAZBZ-UHFFFAOYSA-N
- SMILES
- C1(N)=CC=C([N+]([O-])=O)C=C1I
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 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 CategoriesSkin Irrit. 2 (97.7%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- Not available
- hs_code
- 29214200
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-iodo-4-nitroaniline may be used to synthesize the following:2-iodo-4-nitrobenzonitrile via reaction with sodium nitrite to form a diazonium salt, which then reacts with a mixture of CuCN/KCN2-iodo-p-phenylenediamine by reacting with tin(II)dihydrate in conc.HCl
General Description2-Iodo-4-nitroaniline can be synthesized via reaction of 4-nitroaniline with iodine and silver acetate.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
56 records
Compound notes
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