Basic information
- CAS
25319-90-8- Standard SMILES
CCSC(=O)COc1ccc(Cl)cc1C- InChIKey
AZFKQCNGMSSWDS-UHFFFAOYSA-N- Molecular formula
- C11H13ClO2S
- Average molar mass
- 244.74 g/mol
- Monoisotopic mass
- 244.0324785
Overview
MCPA-thioethyl is an aromatic ether. It has a role as a phenoxy herbicide.
Names & identifiers
- Preferred name
- MCPA-thioethyl
- IUPAC
- S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate
- English name
- Mcpa-thioethyl
- Molecular formula
- C11H13ClO2S
- Molecular weight
- 244.74
Names & synonyms
MCPA-thioethyl25319-90-8PHENOTHIOLHerbitTripion CBZero oneHOK 7501MCPA-thioethyl [BSI:ISO]MCPA THIOETHYLMCPA-thioethyl [ISO]EINECS 246-831-4Acetic acid, ((4-chloro-o-tolyl)oxy)thio-, S-ethyl ester
Show more names
OK 7501FENOBIThok7501tripioncbMCPA-thioethy
FENOTHIOLUNII-XWH17371812-Methyl-4-chlorophenoxythiol acetic acid S-ethyl esterHOK-7501Ethanethioic acid, (4-chloro-2-methylphenoxy)-, S-ethyl esterXWH1737181Ethylester kyseliny 4-chlor-2-tolyloxythiooctove [Czech]S-Ethyl ((4-chloro-o-tolyl)oxy)thioacetate
Database identifiers
- CAS
25319-90-8- PubChem CID
- 32876
- DTXSID
DTXSID0042115- ChEBI
CHEBI:81929- UNII
- XWH1737181
- EC Number
- 246-831-4
- Nikkaji
- J1.876G
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Melting point
- 41.5 ℃ · 41.5℃
- Boiling point
- 165 °C · 165 °C
- Density
- 1.2214 · 1.2214 (estimate)
- storage temp.
- 0 · 0-6°C
- BRN
- 13399500 · 13399500
- Henry's Law Constant
- 4.5 · 4.5×10-1 mol/(m3Pa) at 25℃, Mackay et al. (2006)
- Major Application
- agricultureenvironmental
- InChI
- 1S/C11H13ClO2S/c1-3-15-11(13)7-14-10-5-4-9(12)6-8(10)2/h4-6H,3,7H2,1-2H3
- InChIKey
- AZFKQCNGMSSWDS-UHFFFAOYSA-N
- SMILES
- CCSC(=O)COc1ccc(Cl)cc1C
- FDA UNII
- 1737181 · XWH1737181
- EPA Substance Registry System
- MCPA-thioethyl (25319-90-8)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07,GHS08,GHS09
- Signal word
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: Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P273, P301+P317, P319, P330, P391, and P501 (click each P-code to see the statement)
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P273, P301+P317, P319, P330, P391, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationMCPA-thioethyl: HSNO Approval: HSR005152 Approved with controls
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity (ingestion) - category 4
Acute toxicity (Oral) - Category 4
Specific target organ toxicity - Repeated exposure - Category 2 (blood system)
Acute Tox. 4
Safety data
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- Toxicity
- mouse,LD50,intraperitoneal,1027mg/kg (1027mg/kg),Japan Pesticide Information. Vol. (40), Pg. 32, 1982.
- risk_code
- 22-50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08,GHS09
- hazard_code
- Xn,N
- safety_code
- 60-61
- Storage Class
- 11 - Combustible Solids
- target organs
- Liver
- Hazard statements
Chemistry & industry
Applications
UsesMCPA-thioethyl may be used as an analytical reference standard for the quantification of the analyte in crops and evironmental matrices using different chromatography techniques.
General DescriptionMCPA-thioethyl is a selective, systemic phenoxyacetic herbicide used for the postemergence control of annual and perennial broadleaved weeds in cereals. Its mode of action involves the inhibition of growth in meristematic region.
Suppliers22 total
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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