Basic information
- CAS
51218-49-6- Standard SMILES
CCCOCCN(C(=O)CCl)c1c(CC)cccc1CC- InChIKey
YLPGTOIOYRQOHV-UHFFFAOYSA-N- Molecular formula
- C17H26ClNO2
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 311.16520675
Overview
Pretilachlor is an anilide.
Names & identifiers
- Preferred name
- Pretilachlor
- IUPAC
- 2-chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide
- English name
- Pretilachlor
- Molecular formula
- C17H26ClNO2
- Molecular weight
- 311.85
Names & synonyms
Pretilachlor51218-49-62-Chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamideRifit2-Chloro-2',6'-diethyl-N-(2-propoxyethyl)acetanilideDTXSID8058112617K7LM10DRefChem:175947DTXCID1031880SolnetAcetamide, 2-chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)-Rifit 500
Show more names
Azoxystrobin technicalretilachlorSOFITcg113C14517cga26423
MFCD00161476n-propoxyethyl-n-chloroacetyl-2,6-diethylanilinePretilachloreCHEBI:34931Pretilachlor [BSI:ISO]Pretilachlore [ISO-French]CG 113Pretilachlor [ISO]
Database identifiers
- CAS
51218-49-6- PubChem CID
- 91644
- DTXSID
DTXSID8058112- ChEMBL
CHEMBL1867271- ChEBI
CHEBI:34931- UNII
- 617K7LM10D
- EC Number
- 610-630-3
- Nikkaji
- J1.899F
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 287
Experimental & physicochemical properties
Pesticides
Herbicides
Active substance -> EU Pesticides database: Not approved
Pesticide (Pretilachlor) -> USDA PDB
LogP4.08
Collision Cross Section147.9 Ų [M-2H+Na]-
Physicochemical properties
- Melting point
- 25 °C · 25°C
- Boiling point
- 0.001 · bp0.001 135°
- Density
- 1.0521 · 1.0521 (rough estimate)
- refractive index
- 20 · nD20 1.5204
- storage temp.
- 2 · Inert atmosphere,2-8°C
- Water Solubility
- Insoluble in water
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 1.41 · 1.41±0.50(Predicted)
- form
- Liquid (Density: 1.074±0.06 g/cm3)
- Specific Gravity
- 1.076 · 1.076 (20℃)
- color
- Light yellow to Brown
- Merck
- 14 · 14,7740
- BRN
- 2754162 · 2754162
- Henry's Law Constant
- 4.5 · 4.5×103 mol/(m3Pa) at 25℃, Hilal et al. (2008)
- Major Application
- agricultureenvironmental
- InChI
- 1S/C17H26ClNO2/c1-4-11-21-12-10-19(16(20)13-18)17-14(5-2)8-7-9-15(17)6-3/h7-9H,4-6,10-13H2,1-3H3
- InChIKey
- YLPGTOIOYRQOHV-UHFFFAOYSA-N
- SMILES
- CCCOCCN(C(=O)CCl)c1c(CC)cccc1CC
- CAS DataBase Reference
- 51218 · 51218-49-6(CAS DataBase Reference)
- FDA UNII
- 617 K7LM10D · 617K7LM10D
- NIST Chemistry Reference
- Pretilachlor(51218-49-6)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 315 · H315-H331
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340+P311
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi;N,N,Xi
- Risk Statements
- 38 · 38-50/53
- Safety Statements
- 60 · 60-61
- RIDADR
- 3082 · UN 3082 9/PG 3
- WGK Germany
- 2 · 2
- RTECS
- 5427000 · AB5427000
- HazardClass
- 9 · 9
- PackingGroup
- III
- HS Code
- 29242990 · 29242990
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 InhalationSkin · Acute Tox. 3 InhalationSkin Irrit. 2
- Toxicity
- 50 in · LD50 in rats (mg/kg): 6099 orally; >3100 dermally (Rufener, Quadranti); LC50 in rainbow trout, carp, catfish: 3.0, 3.0, 2.6 ppm (Vogel, Aebi)
Safety & regulation
GHS classification
GHS Classification
Danger
H315 (58.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P271, P272, P273, P280, P302+P352, P304+P340, P316, P321, P332+P317, P333+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 70 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315: Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Regulatory Information2004/129/EC
Hazard Classes and Categories
Skin Irrit. 2 (58.6%)
Acute toxicity (Oral) - Category 5
Skin corrosion/irritation - Category 2
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- rtecs
- AB5427000
- ridadr
- UN 3082 9/PG 3
- hs_code
- 29242990
- Toxicity
- LD50 in rats (mg/kg): 6099 orally; >3100 dermally (Rufener, Quadranti); LC50 in rainbow trout, carp, catfish: 3.0, 3.0, 2.6 ppm (Vogel, Aebi)
- risk_code
- 38-50/53
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi;N,N,Xi
- safety_code
- 60-61
- hazard_class
- 9
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
- H315-H331
- Hazard Classifications
- Acute Tox. 3 InhalationSkin Irrit. 2
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340+P311
Chemistry & industry
Applications
UsesPretilachlor is a chloroacetanalide herbicide. Pretilachlor is commonly used for weed control in wet seeded rice
UsesHerbicide for use in rice paddys.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
湖北科麦迪化工有限公司18372743325
山东海舟生物工程有限公司130-0567-0367 13006570367 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [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]
湖北长耀生物科技有限公司17683887209 17683887209 · [email protected]
济南飞越化工有限公司18615221057 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
上海艾梯西生物科技有限公司18721763493
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海毕楷科技有限公司18516304666
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
武汉普洛夫生物科技有限公司17612776928 · [email protected]
湖北薪和化工有限公司027-83258456 15392830626 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [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]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
武汉弘德悦欣医药科技有限公司027-83855396 15271852016
凯试（上海）科技有限公司021-50135380 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
湖北军瑞生物科技有限公司13971166412 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
西安美川生物科技有限公司029-89275612 +8618991951683 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
泰安嘉岳生物化工有限公司15318151873 · [email protected]
上海玻尔化学试剂有限公司19102157732 · [email protected]
泰安市江舟生物科技有限公司1385-13854830759 13854830759 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
南京择优新材料科技有限公司173-40521416 17340521416 · [email protected]
上海西陇生化科技有限公司021-52907766-8042
上海前衍生物科技有限公司02781293128 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
Additional notes
DefinitionChEBI: Pretilachlor is an anilide.
Related reactions
16 records
Compound notes
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