Basic information
- CAS
868680-84-6- Standard SMILES
COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(C3=NOCC(C)O3)c(Cl)nn2C)n1- InChIKey
IXWKBUKANTXHJH-UHFFFAOYSA-N- Molecular formula
- C15H18ClN7O7S
- Average molar mass
- 475.9 g/mol
- Monoisotopic mass
- 475.0676948
Overview
3-chloro-N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1-methyl-4-(5-methyl-5,6-dihydro-1,4,2-dioxazin-3-yl)-1H-pyrazole-5-sulfonamide is a member of pyrazoles, an aromatic ether, an organochlorine compound, a member of pyrimidines, a diether, a tertiary amino compound, a N-sulfonylurea and a dioxazine.
Names & identifiers
- Preferred name
- Metazosulfuron
- IUPAC
- 1-[3-chloro-1-methyl-4-(5-methyl-5,6-dihydro-1,4,2-dioxazin-3-yl)pyrazol-5-yl]sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea
- English name
- Metazulfuron
- Molecular formula
- C15H18ClN7O7S
- Molecular weight
- 475.86
Names & synonyms
Metazosulfuron868680-84-6Metazosulfuron [ISO]GYS2WZ5UBD1-((3-Chloro-4-((5RS)-5,6-dihydro-5-methyl-1,4,2-dioxazin-3-yl)-1-methyl-1H-pyrazol-5-yl)sulfonyl)-3-(4,6-dimethoxypyrimidin-2-yl)urea3-Chloro-4-(5,6-dihydro-5-methyl-1,4,2-dioxazin-3-yl)-N-(((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)-1-methyl-1H-pyrazole-5-sulfonamideRAC-3-chloro-N-((4,6-dimethoxypyrimidin-2-yl)carbamoyl)-1-methyl-4-((5R)-5-methyl-5,6-dihydro-1,4,2-dioxazin-3-yl)-1H-pyrazole-5-sulfonamideRefChem:201642-CHLORO-4-((5RS)-5,6-DIHYDRO-5-METHYL-1,4,2-DIOXAZIN-3-YL)-N-((4,6-DIMETHOXYPYRIMIDIN-2-YL)CARBAMOYL)-1-METHYL-1H-PYRAZOLE-5-SULFONAMIDEPyrazosulfuron Impurity 1Metazosulfuron 100 microg/mL in Acetonitrile1-[5-chloro-2-methyl-4-(5-methyl-5,6-dihydro-1,4,2-dioxazin-3-yl)pyrazol-3-yl]sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea
Show more names
MetazulfuronMetazosulfuron StandardPyrazosulfuron Impurity 4Metazosulfuron@100 μg/mL in AcetonitrileMetazosulfuron@1000 μg/mL in Acetonitrile
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 770
Physicochemical properties
- Melting point
- 185 ℃ · approximate 185℃ (dec.)
- Density
- 1.71 · 1.71±0.1 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Dichloromethane (Slightly)
- pka
- 11.95 · 11.95±0.70(Predicted)
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 2 WZ5UBD · GYS2WZ5UBD
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 28 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Aquatic Acute 1 (100%)
Serious eye damage/eye irritation - Category 2B
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Applications
UsesMetazosulfuron is a herbicide used in paddy fields to control annual and perennial weeds.
Suppliers16 total
陕西缔都新材料有限公司81124267 17392282731 · [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]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
常州阿桑奇科技有限公司18961267976 · [email protected]
上海右肯医药科技有限公司021-37910267 15821801668 · [email protected]
湖北达豪化工有限公司027-59106191 13986034860 · [email protected]
湖北拓邦化工有限公司027-59106185 13986192185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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