Basic information
- CAS
2693-61-0- Standard SMILES
O=c1c(Cl)c(F)[nH]c(F)c1Cl- InChIKey
MJAWMRVEIWPJRW-UHFFFAOYSA-N- Molecular formula
- C5HCl2F2NO
- Average molar mass
- 199.97 g/mol
- Monoisotopic mass
- 198.9403254
Overview
Haloxydine is a hydroxyyridine that is 4-hydroxypyridine which is substituted by fluorines at positions 2 and 6, and by chlorines at positions 3 and 5. An obsolete herbicide, formerly used to control selective broad-leaved and grass weeds in crops such as potatoes. It has a role as an EC 2.5.1.117 (homogentisate solanesyltransferase) inhibitor, a herbicide and an agrochemical. It is a hydroxypyridine, an organochlorine compound and an organofluorine compound.
Names & identifiers
- Preferred name
- Haloxydine
- IUPAC
- 3,5-dichloro-2,6-difluoro-1H-pyridin-4-one
- English name
- 3,5-DICHLORO-2,6-DIFLUORO-4-PYRIDINOL
- Molecular formula
- C5HCl2F2NO
- Molecular weight
- 199.97
Names & synonyms
Haloxydine3,5-Dichloro-2,6-difluoro-4-pyridinol3,5-dichloro-2,6-difluoropyridin-4-olCaswell No. 304AHaloxydine [ISO:BSI]UNII-EY89F0C6PFEY89F0C6PF4-Pyridinol, 3,5-dichloro-2,6-difluoro-HALOXYDINE [ISO]EPA Pesticide Chemical Code 304200DTXSID2042018CHEBI:82213
Show more names
3,5-dichloro-2,6-difluoro-4-pyridone2,6-Difluoro-3,5-dichloro-4-pyridinol3,5-dichloro-2,6-difluoropyridine-4-ol
PP-4932,6-DIFLUORO-3,5-DICHLORO-4-HYDROXYPYRIDINERefChem:145123DTXCID0022018897-742-82693-61-03,5-dichloro-2,6-difluoro-1H-pyridin-4-one3,5-Dichloro-2,6-difluoro-4-hydroxypyridine
Database identifiers
- CAS
2693-61-0- PubChem CID
- 75902
- DTXSID
DTXSID2042018- ChEBI
CHEBI:82213- UNII
- EY89F0C6PF
- EC Number
- 897-742-8
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Melting point
- 101.5 · 101.5-102.5 °C
- Boiling point
- 357 · 357.0±37.0 °C(Predicted)
- Density
- 1.763 · 1.763±0.06 g/cm3(Predicted)
- pka
- 3.28 · 3.28±0.33(Predicted)
- InChI
- InChI=1S/C6H10F2O2/c1-2-3-4-6(7,8)5(9)10/h2-4H2,1H3,(H,9,10)
- InChIKey
- MJAWMRVEIWPJRW-UHFFFAOYSA-N
- SMILES
- Fc1nc(c(c(c1Cl)O)Cl)F
- FDA UNII
- 89 F0C6PF · EY89F0C6PF
- EPA Substance Registry System
- Haloxydine (2693-61-0)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-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
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers10 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
上海伯韵医药科技有限公司13817873692 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
上海相辉医药科技有限公司[email protected]
上海安米克化学品有限公司微信：18019252918 18019252918 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318584237 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
Additional notes
DefinitionChEBI: Haloxydine is a hydroxyyridine that is 4-hydroxypyridine which is substituted by fluorines at positions 2 and 6, and by chlorines at positions 3 and 5. An obsolete herbicide, formerly used to control selective broad-leaved and grass weeds in crops such as potatoes. It has a role as an EC 2.5.1.117 (homogentisate solanesyltransferase) inhibitor, a herbicide and an agrochemical. It is a hydroxypyridine, an organochlorine compound and an organofluorine compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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