Basic information
- CAS
70628-36-3- Standard SMILES
CC(C)N(C(=O)C(=O)O)c1ccccc1- InChIKey
HYHJOUPYTUBFIX-UHFFFAOYSA-N- Molecular formula
- C11H13NO3
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.08954328
Overview
Propachlor OXA is a monocarboxylic acid that is oxoacetic acid substituted by a phenyl(propan-2-yl)amino group at position 2. It is a metabolite of the herbicide propachlor. It has a role as a marine xenobiotic metabolite. It is an anilide and a monocarboxylic acid.
Names & identifiers
- Preferred name
- 2-((1-Methylethyl)phenylamino)-2-oxoacetic acid
- IUPAC
- 2-oxo-2-(N-propan-2-ylanilino)acetic acid
- English name
- N-(1-METHYLETHYL)-N-(PHENYL)OXALAMIC ACID
- Molecular formula
- C11H13NO3
- Molecular weight
- 207.23
Names & synonyms
70628-36-3N-Isopropyl-N-phenyloxamic acidDTXSID8037592Acetic acid, ((1-methylethyl)phenylamino)oxo-2-((1-Methylethyl)phenylamino)-2-oxoacetic acid2-[(1-Methylethyl)phenylamino]-2-oxoacetic acidRefChem:830190DTXCID6017592634-740-6Propachlor OApropachlor OXA2-(Isopropyl(phenyl)amino)-2-oxoacetic acid
Show more names
Propachlor OA D5Rimantadine Impurity 19C16380400 Propachlor-oxalamiCacid (OA)N-(1-METHYLETHYL)-N-(PHENYL)OXALAMIC ACID[(1-METHYLETHYL)PHENYLAMINO]OXO-ACETIC ACID
2-oxo-2-(N-propan-2-ylanilino)acetic acidoxo[phenyl(propan-2-yl)amino]acetic acidPropachlor-oxalamic acid (OA)Propachlor-OXAPropachlor oxalatePropachlor oxalamic acid (OA)SCHEMBL12985450CHEBI:83520
Database identifiers
- CAS
70628-36-3- PubChem CID
- 155385
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
Experimental & physicochemical properties
Pesticides
Pesticides -> Herbicides -> Amide herbicides -> Anilide herbicides -> Chloroacetanilide herbicides -> Transformation products
Pesticide degradation product
Physicochemical properties
- BRN
- 8762695 · 8762695
- EPA Substance Registry System
- 2 · Acetic acid, 2-[(1-methylethyl)phenylamino]-2-oxo- (70628-36-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 280 · P280
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43
- Safety Statements
- 36 · 36/37
- WGK Germany
- 3 · 3
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Toxicology
USGS Health-Based Screening Levels for Evaluating Water-Quality
Propachlor oxanilic acid
Pesticide degradation product
also see CASRN 1918167
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
Safety data
- wgk
- 3
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 36/37
- Hazard statements
- H317
- Precautionary statements
- P280
Chemistry & industry
Uses & manufacturing
Use ClassificationPesticides -> Herbicides -> Amide herbicides -> Anilide herbicides -> Chloroacetanilide herbicides -> Transformation products
Applications
UsesPropachlor OA is an acetanilide herbicide.
Suppliers9 total
郑州格镭生物科技有限公司19903857099; 19937938981 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
Additional notes
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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