CAS 65303-82-4 4-Fluoro-3-nitrophenyl isocyanate (HCID 144117)

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Basic information

CAS: 65303-82-4
Standard SMILES: O=C=Nc1ccc(F)c([N+](=O)[O-])c1
InChIKey: KCHOHFPMTUPOJU-UHFFFAOYSA-N
Molecular formula: C7H3FN2O3
Average molar mass: 182.11 g/mol
Monoisotopic mass: 182.01277018

Names & identifiers

Preferred name: 4-Fluoro-3-nitrophenyl isocyanate
IUPAC: 1-fluoro-4-isocyanato-2-nitrobenzene
English name: 4-Fluoro-3-nitrophenyl isocyanate
Molecular formula: C7H3FN2O3
Molecular weight: 182.11

Names & synonyms

4-Fluoro-3-nitrophenyl isocyanate65303-82-44-Fluoro-5-nitrophenyl isocyanateDTXSID40215651RefChem:98986DTXCID70138142622-327-3KCHOHFPMTUPOJU-UHFFFAOYSA-N1-Fluoro-4-isocyanato-2-nitrobenzene4-Fluoro-3-nitrophenylisocyanateMFCD000070551-fluoro-4-isocyanato-2-nitro-benzene

Show more names

2-Fluoro-5-isocyanatonitrobenzene4-Fluoro-3-nitrophenyl isocyanate,98%4-FLUORO-3-NITROPHENYL ISOCYANATE 98%Benzene, 1-fluoro-4-isocyanato-2-nitro-Benzene, 1-fluoro-4-isocyanato-2-nitro- (9CI)2-Fluoro-5-isocyanatonitrobenzene, 1-Fluoro-4-isocyanato-2-nitrobenzene

4-Fluoro-3-nitrophenyl isocyanate, 98%PS-103622-ISO-PROPYLPHENYLZINCIODIDEFT-0641007A835057SCHEMBL788004-fluoro-3-nitrobenzenisocyanateSBB089862

Database identifiers

CAS: 65303-82-4
PubChem CID: 144117
DTXSID: DTXSID40215651

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 75.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 247

Physicochemical properties

Melting point: 27 · 27-28 °C
Boiling point: 285.6 · 285.6±30.0 °C(Predicted)
Density: 1.45 · 1.45
refractive index: 1.5674 · 1.5674-1.5694
Flash point: 110 °C · >110°C
form: solid
color: Low-melting
Sensitive: Moisture Sensitive/Lachrymatory
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xn,T,C
Risk Statements: 36 · 36/37/38-20/21/22-36/37
Safety Statements: 36 · 36/37/39-26-37/39-28-23
RIDADR: 2206 · 2206

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.6%): 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, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.