Basic information
- CAS
90717-03-6- Standard SMILES
Cc1cnc2c(C(=O)O)c(Cl)ccc2c1- InChIKey
ALZOLUNSQWINIR-UHFFFAOYSA-N- Molecular formula
- C11H8ClNO2
- Average molar mass
- 221.64 g/mol
- Monoisotopic mass
- 221.02435618
Overview
Quinmerac is a quinolinemonocarboxylic acid that is quinoline-8-carboxylic acid carrying additional methyl and chloro substituents at positions 3 and 7 respectively. A residual herbicide used to control broad-leaved weeds on a range of crops including cereals, rape and beet. It has a role as a herbicide, a synthetic auxin and an environmental contaminant. It is a quinolinemonocarboxylic acid and an organochlorine compound.
Names & identifiers
- Preferred name
- Quinmerac
- IUPAC
- 7-chloro-3-methylquinoline-8-carboxylic acid
- English name
- QUINMERAC
- Molecular formula
- C11H8ClNO2
- Molecular weight
- 221.64
Names & synonyms
Quinmerac90717-03-67-Chloro-3-methylquinoline-8-carboxylic acid7-Chloro-3-methyl-8-quinolinecarboxylic acidBAS 5187-Chloro-3-methyl-quinoline-8-carboxylic acidDTXSID10423640OFY83UPMHDTXCID9022364CHEBI:84199BAS-518RefChem:178217
Show more names
bas518FIESTAGAVELANBAS113Wbas518hbas51802hBUTISAN STAR7-Chloro-3-Methyl-C16708000 Quinmerac
402-790-6618-627-98-Quinolinecarboxylic acid, 7-chloro-3-methyl-MFCD00145199BAS 518HQuinmerac [ISO:BSI]BAS 51802HQuinmerac [ISO]
Database identifiers
- CAS
90717-03-6- PubChem CID
- 91749
- DTXSID
DTXSID1042364- ChEMBL
CHEMBL2448918- ChEBI
CHEBI:84199- UNII
- 0OFY83UPMH
- EC Number
- 402-790-6、618-627-9
- Nikkaji
- J661.713A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 259
Experimental & physicochemical properties
Pesticides
Herbicides
Active substance -> EU Pesticides database: Approved
Herbicides
Dissociation Constants3.96
Collision Cross Section158.0 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID1042364]
Physicochemical properties
- Melting point
- 244 °C · 244°C
- Boiling point
- 416 · 416.0±40.0 °C(Predicted)
- Density
- 1.406 · 1.406±0.06 g/cm3(Predicted)
- storage temp.
- Room Temperature, under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly, Sonicated)
- pka
- -2.84 · -2.84±0.10(Predicted)
- color
- Pale Yellow to Pale Beige
- Merck
- 13 · 13,8158
- BRN
- 8392904 · 8392904
- Henry's Law Constant
- 1 · 1.0×1010 mol/(m3Pa) at 25℃, Maniere et al. (2011)
- Major Application
- agricultureenvironmental
- InChI
- InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)
- InChIKey
- ALZOLUNSQWINIR-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC=C(Cl)C=2C(O)=O)C=C(C)C=1
- LogP
- 0.78 · 0.780
- FDA UNII
- 0 OFY83UPMH · 0OFY83UPMH
- EPA Substance Registry System
- Quinmerac (90717-03-6)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Hazard statements
- 412 · H412
- Precautionary statements
- 273 · P273-P501
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- T
- WGK Germany
- 2 · 2
- RTECS
- 1981800 · VB1981800
- HS Code
- 29333990 · 29333990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 · Aquatic Chronic 4
- Toxicity
- 50 in · LD50 in rats (mg/kg): >5000 orally, >2000 dermally (Wuerzer)
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
H412 (99.4%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 171 reports by companies from 5 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 100% (8 of 8) of all reports.
Not Classified
Aggregated GHS information provided per 8 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Commission Regulation (EC) No 1490/2002
2010/89/EU, Reg. (EU) 2020/2007, Reg. (EU) 2024/1206 , Reg. (EU) No 2018/1260, Reg. (EU) No 540/2011
Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/5022
Hazard Classes and Categories
Not Classified
Aquatic Chronic 3 (99.4%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 2
- rtecs
- VB1981800
- hs_code
- 29333990
- Toxicity
- LD50 in rats (mg/kg): >5000 orally, >2000 dermally (Wuerzer)
- hazard_code
- T
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H412
- REACH Registrations
- Active
- Hazard Classifications
- Aquatic Chronic 4
- Precautionary statements
- P273-P501
Chemistry & industry
Uses & manufacturing
Use ClassificationHerbicides
Applications
UsesAuxin-type herbicide.
UsesHerbicide.
Upstream & downstream products
Upstream raw materials
Suppliers70 total
上海蓝鲲医药科技有限公司18616122638 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
湖北云镁科技有限公司027-59206672 18995657604 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
湖北佩孜医药科技有限公司0712-4220300 17720472265 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
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湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+86-13382787392 · [email protected]
常州布克化工有限公司13606129753 13775119556 · [email protected]
武汉贝乐叶生物医药科技有限公司15871353653 18086118076 · [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]
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]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
湖北军瑞生物科技有限公司13971166412 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
湖北美钡新材料有限公司18271819653 · [email protected]
上海德欣致远生物技术有限公司58088081 18317173152 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
南京艾比克斯生化科技有限公司025-87193546 18652950785 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
常州阿桑奇科技有限公司18961267976 · [email protected]
济南合济生物医药科技有限公司19285513406 · [email protected]
上海泰坦科技股份有限公司18616708014 · [email protected]
嘉兴市德亿化工有限公司86-0573-85866609 18367600069 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
Additional notes
DefinitionChEBI: A quinolinemonocarboxylic acid that is quinoline-8-carboxylic acid carrying additional methyl and chloro substituents at positions 3 and 7 respectively. A residual herbicide used to control broad-leaved weeds on a range of crops including cereals, rape and beet.
Related reactions
4 records
Compound notes
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