2,6-Difluorobenzoyl isocyanate

HCID 2733369CAS 60731-73-9

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Basic information

Standard SMILES: O=C=NC(=O)c1c(F)cccc1F
InChIKey: ZRJSABISRHPRSB-UHFFFAOYSA-N
Molecular formula: C8H3F2NO2
Average molar mass: 183.11 g/mol
Monoisotopic mass: 183.01318478

Names & identifiers

Preferred name: 2,6-Difluorobenzoyl isocyanate
IUPAC: 2,6-difluorobenzoyl isocyanate
English name: 2,6-Difluorobenzoyl isocyanate
Molecular formula: C8H3F2NO2
Molecular weight: 183.11

Names & synonyms

2,6-difluorobenzoyl isocyanate60731-73-9DTXSID60369867RefChem:1060254DTXCID10320903Benzoyl isocyanate, 2,6-difluoro-2,6-difluorobenzoylisocyanate2.6-difluorobenzoyl isocyanateSCHEMBL41419532,6-difluoro-benzoyl isocyanateZRJSABISRHPRSB-UHFFFAOYSA-NAKOS015901345

Show more names

DFBI2,6-Difluorobenzoyl isocyanate, tech.1,3-difluoro-2-(isocyanatoMethyl)benzene2,6-Difluorobenzoyl isocyanate, 80%,tech.2,6-Difluorobenzoyl isocyanate, tech., 80%2,6-Difluorobenzoyl isocyanate, tech., 80% 500MG

(2,6-difluorophenyl)oxomethanisocyanate2,6-DifluorobenzoylisocyanateDiscontinuedST50825196EN300-366407

Database identifiers

CAS: 60731-73-9
PubChem CID: 2733369
DTXSID: DTXSID60369867
EC Number: 612-013-4
Nikkaji: J3.793.388K

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 241

Physicochemical properties

Melting point: 140 · 140-143.3 °C
Boiling point: 66 °C · 66 °C (0.2 mmHg)
Density: 1.4723 · 1.4723 (estimate)
storage temp.: Freezer (-20°C)
form: Crystalline Solid
color: White
Symbol(GHS): 6 · GHS06,GHS08
Signal word: Danger
Hazard statements: 301 · H301+H331-H315-H319-H334-H335
Precautionary statements: 501 · P501-P261-P270-P271-P264-P280-P284-P302+P352-P342+P311-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P304+P340+P311-P403+P233-P405
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 36 · 36/37/39-26
HS Code: 29291000 · 29291000

Safety & regulation

Safety data

hs_code: 29291000
risk_code: 36/37/38-20/21/22
Signal word: Danger
Symbol(GHS): GHS06,GHS08
hazard_code: Xn
safety_code: 36/37/39-26
Hazard statements: H301+H331-H315-H319-H334-H335
Precautionary statements: P501-P261-P270-P271-P264-P280-P284-P302+P352-P342+P311-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P304+P340+P311-P403+P233-P405

Chemistry & industry

Applications · 1 item

Uses2,6-Difluorobenzoyl isocyanate is an important intermediate in the synthesis of benzoylurea insecticides. It can be used to synthesize almost all types of benzoylurea insecticides, such as flufenoxuron, diflubenzuron, flufenoxuron, flufenoxuron, pyridaben, flufenoxuron, lufenuron, flufenoxuron, and flufenoxuron.