5-Chloro-4-fluoro-2-nitroaniline
Basic information
- CAS
104222-34-6- Standard SMILES
Nc1cc(Cl)c(F)cc1[N+](=O)[O-]- InChIKey
VRJKEIWZSOHDOH-UHFFFAOYSA-N- Molecular formula
- C6H4ClFN2O2
- Average molar mass
- 190.56 g/mol
- Monoisotopic mass
- 189.9945332
Names & identifiers
- Preferred name
- 5-Chloro-4-fluoro-2-nitroaniline
- IUPAC
- 5-chloro-4-fluoro-2-nitroaniline
- English name
- 5-CHLORO-4-FLUORO-2-NITROANILINE
- Molecular formula
- C6H4ClFN2O2
- Molecular weight
- 190.56
Names & synonyms
5-Chloro-4-fluoro-2-nitroaniline104222-34-65-chloro-4-fluoro-2-nitrobenzenamineDTXSID00333729RefChem:534779DTXCID10284819677-664-9MFCD000526982-nitro-4-fluoro-5-chloroanilineCS-W015869AC-3726DS-11949
Show more names
CAS:104222-34-6BUTTPARK 45\03-11TIMTEC-BB SBB0036475-Chloro-4-fluoro-2-nitroaniline97%5-Chloro-4-fluoro-2-nitroaniline 97%5-Chloro-4-fluoro-2-nitroaniline,98%5-Chloro-4-fluoro-2-nitroaniline >
SY057047EN300-2206015-chloro-4-fluoro-2-nitrophenylamineBenzenamine,5-chloro-4-fluoro-2-nitro-Benzenamine, 5-chloro-4-fluoro-2-nitro-3-Chloro-4-fluoro-6-nitroaniline5-chloro-4-fluoro-2-nitro-aniline2-Amino-4-chloro-5-fluoronitrobenzene
Database identifiers
- CAS
104222-34-6- PubChem CID
- 517835
- DTXSID
DTXSID00333729- EC Number
- 677-664-9
Properties
Computed structural properties
- XLogP
- 2.3
- 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
- Melting point
- 142 · 142-145 °C
- Boiling point
- 336.1 · 336.1±37.0 °C(Predicted)
- Density
- 1.5168 · 1.5168 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- -1.36 · -1.36±0.25(Predicted)
- form
- Crystalline Powder
- color
- Orange
- BRN
- 7202993 · 7202993
- CAS DataBase Reference
- 104222 · 104222-34-6(CAS DataBase Reference)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Warning
- Hazard statements
- 301 · H301-H311-H331
- Precautionary statements
- 261 · P261-P280h-P301+P310a-P304+P340-P405-P501a
- Hazard Codes
- Xn,T
- Risk Statements
- 36 · 36/37/38-20/21/22
- Safety Statements
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 (80%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (20%)
Safety data
- ridadr
- 2811
- hs_code
- 29214200
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS06
- hazard_code
- Xn,T
- hazard_note
- Toxic
- safety_code
- 36/37/39-26
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H301-H311-H331
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P261-P280h-P301+P310a-P304+P340-P405-P501a
Related reactions
10 records
Compound notes
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