3-Chloro-5-nitroaniline
Basic information
- CAS
5344-44-5- Standard SMILES
Nc1cc(Cl)cc([N+](=O)[O-])c1- InChIKey
RXAFMJXGEACRGX-UHFFFAOYSA-N- Molecular formula
- C6H5ClN2O2
- Average molar mass
- 172.57 g/mol
- Monoisotopic mass
- 172.0039551
Names & identifiers
- Preferred name
- 3-Chloro-5-nitroaniline
- IUPAC
- 3-chloro-5-nitroaniline
- English name
- 3-chloro-5-nitro-aniline
- Molecular formula
- C6H5ClN2O2
- Molecular weight
- 172.57
Names & synonyms
3-chloro-5-nitroaniline5344-44-5DTXSID00277199RefChem:1067597DTXCID902283573-CHLORO-5-NITRO-ANILINEAniline, 3-chloro-5-nitro-MFCD01009865Benzenamine, 3-chloro-5-nitro-NSC11173-Chloro-5-nitrobenzenamineSCHEMBL1532381
Show more names
3-Chloro-5-nitroaniline 98%
NSC-1117CL9635BCP20576AKOS016007419CS-W007288DS-16094SY117446DB-122665
Database identifiers
- CAS
5344-44-5- PubChem CID
- 219615
- DTXSID
DTXSID00277199- Nikkaji
- J140.782A
Properties
Computed structural properties
- XLogP
- 1.8
- 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
Physicochemical properties
- Boiling point
- 332.7 · 332.7±22.0 °C(Predicted)
- Density
- 1.494 · 1.494±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 1.22 · 1.22±0.10(Predicted)
- Appearance
- Yellow to orange Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- 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.
Safety data
- hs_code
- 2921420090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
1 records
Compound notes
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