Basic information
- CAS
7287-36-7- Standard SMILES
CCCC(C)(C)C(=O)Nc1ccc(Cl)cc1- InChIKey
KXGYBSNVFXBPNO-UHFFFAOYSA-N- Molecular formula
- C13H18ClNO
- Average molar mass
- 239.74 g/mol
- Monoisotopic mass
- 239.1076919
Overview
Monalide is an anilide.
Names & identifiers
- Preferred name
- Monalide
- IUPAC
- N-(4-chlorophenyl)-2,2-dimethylpentanamide
- English name
- MONALIDE
- Molecular formula
- C13H18ClNO
- Molecular weight
- 239.74
Names & synonyms
Monalide7287-36-7PotablanN-(4-Chlorophenyl)-2,2-dimethylpentanamideSchering-35830Monalide [BSI:ISO]Caswell No. 188AAValeranilide, 4'-chloro-2,2-dimethyl-4'-Chloro-2,2-dimethylvaleranilideD-90-APentanamide, N-(4-chlorophenyl)-2,2-dimethyl-SN 35830
Show more names
D 90Amonalidsn35830MonolidePotabianPotablon
UNII-PV4FMD17U4N-(4-Chlorophenyl)-2,2-dimethylvaleroamideEINECS 230-712-9PV4FMD17U4EPA Pesticide Chemical Code 288400BRN 5528162N-(4-Chlorphenyl)-2,2-dimethylpentamid4'-Chloro-alpha,alpha-dimethylvaleranilide
Database identifiers
- CAS
7287-36-7- PubChem CID
- 23715
- DTXSID
DTXSID0042163- ChEMBL
CHEMBL1520034- ChEBI
CHEBI:82180- UNII
- PV4FMD17U4
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Experimental & physicochemical properties
SpringerMaterials PropertiesFusion temperature
Pesticides
Herbicides
Active substance -> EU Pesticides database: Not approved
LogP3.83
Physicochemical properties
- Melting point
- 87 · 87-88℃
- Boiling point
- 210 °C · 210°C (rough estimate)
- Density
- 1.0747 · 1.0747 (rough estimate)
- refractive index
- 1.633 · 1.6330 (estimate)
- pka
- 14.25 · 14.25±0.70(Predicted)
- Water Solubility
- 22.8 mg/L · 22.8mg/L(23 ºC)
- BRN
- 5528162 · 5528162
- Henry's Law Constant
- 4 · 4.0×102 mol/(m3Pa) at 25℃, MacBean (2012)
- EWG's Food Scores
- 1 · 1
- FDA UNII
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
Danger
H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]
P262, P264, P270, P280, P302+P352, P316, P321, P361+P364, P405, 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
Regulatory Information2002/2076
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- rtecs
- YV6010000
- ridadr
- 2588
- hs_code
- 29242990
- Toxicity
- LC50 for guppy >100 mg/L (Worthing and Hance, 1991); acute oral LD50 for rats 2,600 mg/kg (RTECS, 1985).
- risk_code
- 21
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn
- safety_code
- 36/37
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H311
- Precautionary statements
- P280-P312
Chemistry & industry
Applications
UsesPreemergence and postemergence control of broad-leaved weeds in parsley, carrots, dill and celery.
UsesMONALIDE is used to destroyweeds of crops such as carrots, celery, and parsley.
Suppliers12 total
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]
四川库利南科技有限公司400-1166-196 18981987031 · [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022-6537-8550 15522853686 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [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]
上海杰股生物科技有限公司021-51698675 · [email protected]
北京百灵威科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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