2-Fluoro-5-nitrophenyl isocyanate
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Basic information
- CAS
68622-14-0- Standard SMILES
O=C=Nc1cc([N+](=O)[O-])ccc1F- InChIKey
XCDYDLFUPMSLGZ-UHFFFAOYSA-N- Molecular formula
- C7H3FN2O3
- Average molar mass
- 182.11 g/mol
- Monoisotopic mass
- 182.01277018
Names & identifiers
- Preferred name
- 2-Fluoro-5-nitrophenyl isocyanate
- IUPAC
- 1-fluoro-2-isocyanato-4-nitrobenzene
- English name
- 2-Fluoro-5-nitrophenyl isocyanate
- Molecular formula
- C7H3FN2O3
- Molecular weight
- 182.11
Names & synonyms
2-Fluoro-5-nitrophenyl isocyanate68622-14-0DTXSID10218710RefChem:87111DTXCID60141201622-348-8XCDYDLFUPMSLGZ-UHFFFAOYSA-N1-fluoro-2-isocyanato-4-nitrobenzeneBenzene, 1-fluoro-2-isocyanato-4-nitro-SCHEMBL9129392-fluoro-5-nitrobenzenisocyanateSBB089863
Show more names
2-FLUORO-5-NITROPHENYL ISOYCANATEBenzene, 1-fluoro-2-isocyanato-4-nitro- (9CI)
AKOS0158890791-Fluoro-2-isocyanato-4-nitro-benzeneAT260562-Fluoro-5-nitrophenyl isocyanate, 98%DB-055171EN300-1842699
Database identifiers
- CAS
68622-14-0- PubChem CID
- 144307
- DTXSID
DTXSID10218710- EC Number
- 622-348-8
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Melting point
- 50 · 50-55 °C(lit.)
- Flash point
- 230 °F · >230 °F
- CAS DataBase Reference
- 68622 · 68622-14-0(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H335-H319-H315-H302-H312
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
- Hazard Codes
- Xn,T,Xi
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 2206 · 2206
- WGK Germany
- 3 · 3
- Hazard Note
- Toxic/Irritant
- HS Code
- 2929100090 · 2929100090
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)
Aggregated GHS information provided per 39 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 CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- ridadr
- 2206
- hs_code
- 2929100090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,T,Xi
- hazard_note
- Toxic/Irritant
- safety_code
- 26-36
- Hazard statements
- H332-H335-H319-H315-H302-H312
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Related reactions
7 records
Compound notes
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