5-Bromo-3-fluoro-2-nitroaniline
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Basic information
- CAS
1193385-18-0- Standard SMILES
Nc1cc(Br)cc(F)c1[N+](=O)[O-]- InChIKey
PTQHTXBNGYMWER-UHFFFAOYSA-N- Molecular formula
- C6H4BrFN2O2
- Average molar mass
- 235.01 g/mol
- Monoisotopic mass
- 233.94402
Names & identifiers
- Preferred name
- 5-Bromo-3-fluoro-2-nitroaniline
- IUPAC
- 5-bromo-3-fluoro-2-nitroaniline
- English name
- 5-Bromo-3-fluoro-2-nitrobenzenamine
- Molecular formula
- C6H4BrFN2O2
- Molecular weight
- 235.01
Names & synonyms
5-bromo-3-fluoro-2-nitroaniline1193385-18-0RefChem:533503810-882-65-bromo-3-fluoro-2-nitrobenzenamine5-bromo-3-fluoro-2-nitro-benzenamineBenzenamine, 5-bromo-3-fluoro-2-nitro-MFCD237022465-bromo-3-fluoro-2-nitro-anilineSCHEMBL1192809PTQHTXBNGYMWER-UHFFFAOYSA-N5-bromo-3-fluoro-2-nitro-phenylamine
Show more names
AKOS027253853AS-40453SY259507DB-368494CS-0101202F470864
Database identifiers
- CAS
1193385-18-0- PubChem CID
- 66937232
- EC Number
- 810-882-6
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 345.4 · 345.4±37.0 °C(Predicted)
- Density
- 1.896 · 1.896±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- -2.54 · -2.54±0.25(Predicted)
- form
- crystalline powder
- color
- Dark orange/tan
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H320-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330
- 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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2921420090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H320-H335
- Precautionary statements
- P264-P270-P301+P312-P330
Related reactions
3 records
Compound notes
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