4-Fluoro-2-nitrobenzonitrile
Basic information
- CAS
80517-21-1- Standard SMILES
N#Cc1ccc(F)cc1[N+](=O)[O-]- InChIKey
MNEAKKQYFSYZEU-UHFFFAOYSA-N- Molecular formula
- C7H3FN2O2
- Average molar mass
- 166.11 g/mol
- Monoisotopic mass
- 166.01785556
Names & identifiers
- Preferred name
- 4-Fluoro-2-nitrobenzonitrile
- IUPAC
- 4-fluoro-2-nitrobenzonitrile
- English name
- 4-Fluoro-2-nitrobenzonitrile
- Molecular formula
- C7H3FN2O2
- Molecular weight
- 166.11
Names & synonyms
4-fluoro-2-nitrobenzonitrile80517-21-1DTXSID50379152RefChem:292790DTXCID60330178Benzonitrile, 4-fluoro-2-nitro-MFCD002774474-fluoro-2-nitro-benzonitrileSCHEMBL404745MNEAKKQYFSYZEU-UHFFFAOYSA-N4-fluoro-2-nitrobenzenecarbonitrileSBB055173
Show more names
BUTTPARK 100\07-732-Cyano-5-fluoronitrobenzene4-FLUORO-2-NITROBENZONITRILE ISO 9001：2015 REACH
AKOS005257815AC-4089CS-W002604DS-1207SY020840EN300-104065F033751
Database identifiers
- CAS
80517-21-1- PubChem CID
- 2774652
- DTXSID
DTXSID50379152- EC Number
- 642-662-9
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 71 °C · 71 °C
- Boiling point
- 145 · 145-150 °C(Press: 11.25 Torr)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Light yellow to yellow Solid
- CAS DataBase Reference
- 80517 · 80517-21-1(CAS DataBase Reference)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Warning
- Hazard statements
- 302 · H302-H311-H315-H319-H332
- Precautionary statements
- 280 h-P305+P351+P338-P309-P310 · P280h-P305+P351+P338-P309-P310
- Hazard Codes
- Xi,Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3276 · 3276
- Hazard Note
- Harmful/Irritant
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 (25%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, 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 8 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. 3 (25%)
Safety data
- ridadr
- 3276
- hs_code
- 2926907090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS06
- hazard_code
- Xi,Xn
- hazard_note
- Harmful/Irritant
- safety_code
- 26-36/37/39
- hazard_class
- 6.1
- Hazard statements
- H302-H311-H315-H319-H332
- Precautionary statements
- P280h-P305+P351+P338-P309-P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
2 records
Compound notes
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