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| CAS No.: | 145701-23-1 |
|---|---|
| Name: | Florasulam |
| Molecular Structure: | |
|
|
|
| Formula: | C12H8F3N5O3S |
| Molecular Weight: | 359.288 |
| Synonyms: | [1,2,4]Triazolo[1,5-c]pyrimidine-2-sulfonamide,N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-;Kantor;Primus; |
| Density: | 1.757 g/cm3 |
| Melting Point: | 220-221° (dec) (Van Heertum); also reported as 193.5-230.5° (Thompson) |
| Hazard Symbols: |
 N
|
| Risk Codes: | 50/53 |
| Safety: | 60-61 |
| PSA: | 106.86000 |
| LogP: | 2.50480 |
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Chemistry
Molecule structure of Florasulam (CAS NO.145701-23-1):
IUPAC Name: N-(2,6-Difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[5,1-f]pyrimidine-2-sulfonamide
Molecular Weight: 359.28383 g/mol
Molecular Formula: C12H8F3N5O3S
Index of Refraction: 1.676
Molar Refractivity: 76.942 cm3
Molar Volume: 204.525 cm3
Surface Tension: 56.11 dyne/cm
Density: 1.757 g/cm3
Storage Temp.: 0-6 °C
XLogP3-AA: 1.6
H-Bond Donor: 1
H-Bond Acceptor: 10
Rotatable Bond Count: 4
Exact Mass: 359.029994
MonoIsotopic Mass: 359.029994
Topological Polar Surface Area: 98.5
Heavy Atom Count: 24
Canonical SMILES: COC1=NC=C(C2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3F)F)F
InChI: InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3
InChIKey of Florasulam (CAS NO.145701-23-1): QZXATCCPQKOEIH-UHFFFAOYSA-N
Safety Profile
Hazard Codes: 
N
Risk Statements: 50/53
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 60-61
S60:This material and its container must be disposed of as hazardous waste.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
Specification
Florasulam (CAS NO.145701-23-1) is also named as [1,2,4]Triazolo[1,5-c]pyrimidine-2-sulfonamide, N-(2,6-difluorophenyl)-8-fluoro-5-methoxy- ; de-570;florasulam (bsi,iso);florasulam (ISO) 2',6',8-trifluoro-5-methoxy-5-triazolo[1,5-c] pyrimidine-2-sulfonanilide ; N-(2,6-Difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide .