Basic information
- CAS
2303-16-4- Standard SMILES
CC(C)N(C(=O)SCC(Cl)=CCl)C(C)C- InChIKey
SPANOECCGNXGNR-UHFFFAOYSA-N- Molecular formula
- C10H17Cl2NOS
- Average molar mass
- 270.22 g/mol
- Monoisotopic mass
- 269.0407907
Names & identifiers
- Preferred name
- S-(2,3-dichloroprop-2-enyl) N,N-di(propan-2-yl)carbamothioate
- IUPAC
- S-(2,3-dichloroprop-2-enyl) N,N-di(propan-2-yl)carbamothioate
- English name
- DIALLATE
- Molecular formula
- C10H17Cl2NOS
- Molecular weight
- 270.22
Names & synonyms
S-(2,3-dichloroprop-2-enyl) N,N-di(propan-2-yl)carbamothioateSCHEMBL1873360CHEMBL3185536Diallate 10 microg/mL in CyclohexaneDB-046059NS00003628NS00073909S-2,3-dichloroallyl N,N-diisopropylthiocarbamateQ63088175S-(2,3-Dichloroprop-2-en-1-yl) di(propan-2-yl)carbamothioateDATCAvadex
Show more names
cp15336DiallatPyradex2,3-DCDTAvadex IDIALLATECP 15336cp15,336
Database identifiers
- CAS
2303-16-4- PubChem CID
- 28700
- DTXSID
DTXSID2020391- ChEMBL
CHEMBL3185536
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Melting point
- 25 · 25-30℃
- Boiling point
- 9 · bp9 150°
- Density
- 1.1556 · 1.1556 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- Flash point
- 100 °C · >100 °C
- storage temp.
- 0 · 0-6°C
- form
- Viscous Liquid
- pka
- -1.63 · -1.63±0.70(Predicted)
- color
- Colorless to light yellow
- Water Solubility
- 40 mg/L · 40mg/L(room temperature)
- Henry's Law Constant
- 2.6 · 2.6×100 mol/(m3Pa) at 25℃, HSDB (2015)
- FDA UNII
- 77003 KI5VJ · 77003KI5VJ
- IARC
- 3 · 3 (Vol. 30, Sup 7) 1987
- EPA Substance Registry System
- Diallate (2303-16-4)
- Pesticides Freedom of Information Act (FOIA)
- Diallate
- Symbol(GHS)
- 8 · GHS08,GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H351-H410
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P201-P202-P281-P308+P313-P405-P501-P273-P391-P501
- Hazard Codes
- Xn,N
- Risk Statements
- 22 · 22-40-50/53
- Safety Statements
- 25 · 25-36/37-60-61
- RIDADR
- 2902 · 2902
- RTECS
- 8225000 · EZ8225000
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
- HS Code
- 29302000 · 29302000
- Hazardous Substances Data
- 2303 · 2303-16-4(Hazardous Substances Data)
- Toxicity
- 50 orally · LD50 orally in rats: 395 mg/kg (Bailey, White)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- rtecs
- EZ8225000
- ridadr
- 2902
- hs_code
- 29302000
- Toxicity
- LD50 orally in rats: 395 mg/kg (Bailey, White)
- risk_code
- 22-40-50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS08,GHS07,GHS09
- hazard_code
- Xn,N
- safety_code
- 25-36/37-60-61
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H302-H351-H410
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P201-P202-P281-P308+P313-P405-P501-P273-P391-P501
- Hazardous Substances Data
- 2303-16-4(Hazardous Substances Data)
Chemistry & industry
Applications
DescriptionDiallate is a brown liquid. Molecularweight = 270.21; Boiling point =150℃ at 9 mmHg;Freezing/Melting point = 25-30℃. Hazard Identification(based on NFPA-704 M Rating System): Health 2,Flammability 0, Reactivity 0. Slightly soluble in water;solubility = 14 mg/L at 25℃.
UsesHerbicide.
UsesPreemergent, selective herbicide used to control wild oats and blackgrass in barley, corn, flax, lentils, peas, potatoes, soybeans and sugar beets.
UsesDiallate is a pesticide used to treat fruits and vegetables. Environmental wastewater pollutant.Environmental toxin on US EPA Toxic Release Inventory list (TRI) list.
General DescriptionUsed as an herbicide.
Upstream & downstream products
Upstream raw materials
Suppliers26 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
江苏智芯廷科技有限公司18221391031 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海兴鲁化工科技有限公司02120970332 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
湖北万业众诚化学试剂有限责任公司18671296875 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
安泰精细化工技术有限公司18503026267 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
河北独领国际贸易有限公司18032116176 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [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18210857532 18210857532 · [email protected]
亚索试剂400-873-6778 18660992876 · [email protected]
Additional notes
DefinitionChEBI: Diallat is a tertiary amine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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