Basic information
- CAS
856045-88-0- Standard SMILES
Oc1ccc(CC(O)(Cn2cncn2)C2(Cl)CC2)c(Cl)c1- InChIKey
YZPNFTVYLXGBPC-UHFFFAOYSA-N- Molecular formula
- C14H15Cl2N3O2
- Average molar mass
- 328.2 g/mol
- Monoisotopic mass
- 327.0541321
Names & identifiers
- Preferred name
- 3-Chloro-4-[2-(1-chlorocyclopropyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phenol
- IUPAC
- 3-chloro-4-[2-(1-chlorocyclopropyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]phenol
- English name
- YZPNFTVYLXGBPC-UHFFFAOYSA-N
- Molecular formula
- C14H15Cl2N3O2
- Molecular weight
- 328.1938
Names & synonyms
3-chloro-4-[2-(1-chlorocyclopropyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phenolDTXSID4010204993-Chloro-4-(2-(1-chlorocyclopropyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl)phenolRefChem:499940DTXCID001478254888-375-4856045-88-0Prothioconazole-4-hydroxy-desthio3-Chloro-4-[2-(1-chlorocyclopropyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]phenolProthioconazole Impurity 1EN300-269708031H-1,2,4-Triazole-1-ethanol, .alpha.-(1-chlorocyclopropyl)-.alpha.-[(2-chloro-4-hydroxyphenyl)methyl]-
Show more names
Prothioconazole metaboliteYZPNFTVYLXGBPC-UHFFFAOYSA-NPROTHIOCOZOLE-4-HYDROXYDESTHIOProthioconazole-4-hydroxydesthio Hydrochloride3-chloro-4-[2-(1-chlorocyclopropyl)-2-hydroxy-3-(1 H-1,2,4-triazol-1-yl)propyl]phenol1H-1,2,4-Triazole-1-ethanol,α-(1-chlorocyclopropyl)-α-[(2-chloro-4-hydroxyphenyl)methyl]-
alpha-(1-Chlorocyclopropyl)-alpha-[(2-chloro-4-hydroxyphenyl)methyl]-1H-1,2,4-triazole-1-ethanol
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 71.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 383
Physicochemical properties
- EPA Substance Registry System
- 1 H-1,2,4-Triazole-1-ethanol, · 1H-1,2,4-Triazole-1-ethanol, .alpha.-(1-chlorocyclopropyl)-.alpha.-[(2-chloro-4-hydroxyphenyl)methyl]- (856045-88-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesProthioconazole-4-hydroxy-desthio is a metabolite of Prothioconazole in animals and plants.
Suppliers13 total
济南百隆化学有限公司[email protected] · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [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]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
成都大道三灵生物科技有限公司18108108965 18108108965 · [email protected]
上海语锌医药科技有限公司15921286451; 15921286451 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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