Basic information
- CAS
31251-03-3- Standard SMILES
FC(F)(F)c1cccc(C(c2ccccc2)(c2ccccc2)n2cncn2)c1- InChIKey
LXMQMMSGERCRSU-UHFFFAOYSA-N- Molecular formula
- C22H16F3N3
- Average molar mass
- 379.4 g/mol
- Monoisotopic mass
- 379.12963201
Overview
Fluotrimazole is a triazole fungicide.
Names & identifiers
- Preferred name
- Fluotrimazole
- IUPAC
- 1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole
- English name
- Fluotrimazol
- Molecular formula
- C22H16F3N3
- Molecular weight
- 379.38
Names & synonyms
FluotrimazoleFluotrimazolPersulonPersulon 6660Fluotrimazole [BSI:ISO]NSC 303302B 6660UNII-RUP22XKV3T1-(3-Trifluoromethyltrityl)-1H-1,2,4-triazoleRUP22XKV3TEINECS 250-534-5FLUOTRIMAZOLE [ISO]
Show more names
b6660Bay 6683BUE 0602Persolonpersulon6660fluotrimazole (bsi,iso)C13800000 Fluotrimazole
NSC-3033021-(Diphenyl(3-(trifluoromethyl)phenyl)methyl)-1H-1,2,4-triazoleDTXSID801851821-(Diphenyl-(3-(trifluoromethyl)phenyl)methyl)-1H-1-2,4-triazole1H-1,2,4-Triazole, 1-(alpha,alpha-diphenyl-m-(trifluoromethyl)benzyl)-1H-1,2,4-Triazole, 1-(diphenyl-(3-(trifluoromethyl)phenyl)methyl)-1-[DIPHENYL[3-(TRIFLUOROMETHYL)PHENYL]METHYL]-1H-1,2,4-TRIAZOLE1-{diphenyl[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazole
Database identifiers
- CAS
31251-03-3- PubChem CID
- 91600
- DTXSID
DTXSID80185182- ChEBI
CHEBI:82080
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 480
Physicochemical properties
- Melting point
- 132 °C · 132°C
- Boiling point
- 485.6 · 485.6±55.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 2.15 · 2.15±0.10(Predicted)
- BRN
- 8395848 · 8395848
- Major Application
- agricultureenvironmental
- InChI
- 1S/C22H16F3N3/c23-22(24,25)20-13-7-12-19(14-20)21(28-16-26-15-27-28,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16H
- InChIKey
- LXMQMMSGERCRSU-UHFFFAOYSA-N
- SMILES
- FC(F)(F)c1cccc(c1)C(c2ccccc2)(c3ccccc3)n4cncn4
- CAS DataBase Reference
- 31251 · 31251-03-3(CAS DataBase Reference)
- FDA UNII
- 22 XKV3T · RUP22XKV3T
- NIST Chemistry Reference
- Fluotrimazol(31251-03-3)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Hazard statements
- 413 · H413
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 2
- rtecs
- XZ4803020
- hs_code
- 29339900
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H413
- Hazard Classifications
- Aquatic Chronic 4
Chemistry & industry
Applications
UsesFluotrimazol is a fluoride-containing azole fungicide. It is characterized by high biological activity and low toxicity, and has special effects on powdery mildews such as cucumbers, peaches, barley, and grapes.
Upstream & downstream products
Upstream raw materials
Suppliers27 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
四川库利南科技有限公司
Related reactions
1 records
Compound notes
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