Basic information
- CAS
27605-76-1- Standard SMILES
C=CCOC1=NS(=O)(=O)c2ccccc21- InChIKey
WHHIPMZEDGBUCC-UHFFFAOYSA-N- Molecular formula
- C10H9NO3S
- Average molar mass
- 223.25 g/mol
- Monoisotopic mass
- 223.03031432
Overview
Probenazole is a member of the class of 1,2-benzothiazoles that is 1,2-benzothiazole 1,1-dioxide substituted at position 3 by an allyloxy group. A fungicide used to control rice blast. It has a role as a plant activator and an antifungal agrochemical. It is an aromatic ether, a sulfone, a 1,2-benzisothiazole and a benzothiazole fungicide. It is functionally related to a saccharin.
Names & identifiers
- Preferred name
- Probenazole
- IUPAC
- 3-prop-2-enoxy-1,2-benzothiazole 1,1-dioxide
- English name
- Probenazole
- Molecular formula
- C10H9NO3S
- Molecular weight
- 223.25
Names & synonyms
Probenazole27605-76-1OryzaemateOryzemate3-(2-Propenyloxy)-1,2-benzisothiazole 1,1-dioxideFGB5BLX49H1,2-Benzisothiazole, 3-(2-propen-1-yloxy)-, 1,1-dioxideDTXSID7058048CHEBI:81778RefChem:868531DTXCID30318163-allyloxy-1,2-benzoisothiazole-1,1-dioxide
Show more names
ORYZAMATEBrn 1214464PROBENAZOIEORYZAMATE(R)Probenazole 0Oryzemate(TM)
608-113-23-(Allyloxy)benzo[d]isothiazole 1,1-dioxideMFCD002746021,2-Benzisothiazole, 3-(2-propenyloxy)-, 1,1-dioxide3-prop-2-enoxy-1,2-benzothiazole 1,1-dioxide3-Allyloxy-1,2-benzisothiazol-1,1-dioxide3-ALLYLOXY-1,2-BENZOTHIAZOLE 1,1-DIOXIDEPO-20
Database identifiers
- CAS
27605-76-1- PubChem CID
- 91587
- DTXSID
DTXSID7058048- ChEMBL
CHEMBL2287211- ChEBI
CHEBI:81778
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 380
Experimental & physicochemical properties
Pesticides
Bactericides, Fungicides
Active substance -> EU Pesticides database: Not approved
LogP1.4
Physicochemical properties
- Melting point
- 136 · 136~141℃
- Boiling point
- 220 °C · 220°C (rough estimate)
- Density
- 1.3588 · 1.3588 (rough estimate)
- vapor pressure
- 5 x · 5 x 10-4 Pa (20 °C) (est.)
- refractive index
- 1.65 · 1.6500 (estimate)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- Water Solubility
- 150 mg · 150 mg l-1
- pka
- -2.43 · -2.43±0.20(Predicted)
- form
- Solid
- color
- White to Off-White
Safety & regulation
GHS classification
GHS Classification
H401: Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P308+P316, P317, P318, P319, P321, P330, P333+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Hazard information
Hazard Classes and Categories
Hazardous to the aquatic environment (Acute) - Category 2
Reproductive toxicity - Category 2
Safety data
- hs_code
- 29342000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesProbenazole is used for the control of rice blast and bacterial diseases in paddy rice.
UsesProbenazole can be used in agricultural use and biological study of preparation of nicotinamide compounds containing chiral oxazoline and application thereof as agricultural antimicrobial agent.
Upstream & downstream products
Upstream raw materials
Suppliers81 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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