Basic information
- CAS
98730-04-2- Standard SMILES
CC1COc2ccccc2N1C(=O)C(Cl)Cl- InChIKey
PFJJMJDEVDLPNE-UHFFFAOYSA-N- Molecular formula
- C11H11Cl2NO2
- Average molar mass
- 260.11 g/mol
- Monoisotopic mass
- 259.01668395
Overview
Benoxacor is a benzoxazine.
Names & identifiers
- Preferred name
- Benoxacor
- IUPAC
- 2,2-dichloro-1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
- English name
- Benoxacor
- Molecular formula
- C11H11Cl2NO2
- Molecular weight
- 260.12
Names & synonyms
BENOXACOR98730-04-2UAI2652GEVDTXSID30295722,2-dichloro-1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanoneEthanone, 2,2-dichloro-1-(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)-CGA-154281DTXCID8095724-(dichloroacetyl)-3,4-dihydro-3-methyl-2h-1,4-benzoxazineRefChem:117017619-372-6BRN 4190275
Show more names
SOFITprimextrasBRN4190275BRN-4190275Benoxacor 10BENOXACOR, 96%TCBENOXACOR STANDARD
CGA 154 2812,2-dichloro-1-(3-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethanoneMFCD013118202H-1,4-Benzoxazine, 4-(dichloroacetyl)-3,4-dihydro-3-methyl-2,2-dichloro-1-(3-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-ethanone2,2-dichloro-1-(3-methyl-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)ethan-1-oneBenoxacor [ISO]Benoxacor [ISO]
Database identifiers
- CAS
98730-04-2- PubChem CID
- 62306
- DTXSID
DTXSID3029572- ChEMBL
CHEMBL2269059- ChEBI
CHEBI:3016- UNII
- UAI2652GEV
- EC Number
- 619-372-6
- Nikkaji
- J438.573J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 273
Experimental & physicochemical properties
PesticidesPesticide (Benoxacor) -> USDA PDB
Physical DescriptionLarge Crystals; Liquid; Other Solid
Physicochemical properties
- Melting point
- 105 · 105-107°
- Boiling point
- 240 °C · 240°C (rough estimate)
- Density
- 1.3416 · 1.3416 (rough estimate)
- vapor pressure
- 0.002 Pa · 0.002Pa at 25℃
- refractive index
- 1.607 · 1.6070 (estimate)
- Flash point
- 107 °C · >107 °C
- storage temp.
- 0 · 0-6°C
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 1.2 · 1.20±0.40(Predicted)
- color
- Pale Brown to Light Brown
- Water Solubility
- 38 mg/L · 38mg/L at 25℃
- BRN
- 4190275 · 4190275
- Henry's Law Constant
- 1.3 · 1.3×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- Major Application
- agricultureenvironmental
- InChI
- 1S/C11H11Cl2NO2/c1-7-6-16-9-5-3-2-4-8(9)14(7)11(15)10(12)13/h2-5,7,10H,6H2,1H3
- InChIKey
- PFJJMJDEVDLPNE-UHFFFAOYSA-N
- SMILES
- CC1COc2ccccc2N1C(=O)C(Cl)Cl
- LogP
- 2.6 at · 2.6 at 25℃
- CAS DataBase Reference
- 98730 · 98730-04-2(CAS DataBase Reference)
- FDA UNII
- 2652 GEV · UAI2652GEV
- NIST Chemistry Reference
- Benoxacor(98730-04-2)
- EPA Substance Registry System
- Benoxacor (98730-04-2)
- Pesticides Freedom of Information Act (FOIA)
- Benoxacor
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 317 · H317-H410
- Precautionary statements
- 261 · P261-P272-P273-P280-P302+P352-P333+P313
- PPE
- 95 · Eyeshields, Faceshields, Gloves, type N95 (US)
- WGK Germany
- 2 · 2
- RTECS
- 3029000 · DM3029000
- TSCA
- TSCA listed
- HS Code
- 29349990 · 29349990
- Storage Class
- 13 · 13 - Non Combustible Solids
- Hazard Classifications
- 1 Skin · Aquatic Chronic 1Skin Sens. 1
- Toxicity
- 50 · LD50 (mg/kg): >5000 orally in rats; >2010 dermally in rabbits; LC50 in rats (mg/l): >2000 by inhalation (Fed. Regist.)
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H317 (82%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P317, P321, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 211 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Ethanone, 2,2-dichloro-1-(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanone, 2,2-dichloro-1-(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 20-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/28351
Hazard Classes and CategoriesSkin Sens. 1 (82%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type N95 (US)
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- DM3029000
- hs_code
- 29349990
- Toxicity
- LD50 (mg/kg): >5000 orally in rats; >2010 dermally in rabbits; LC50 in rats (mg/l): >2000 by inhalation (Fed. Regist.)
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H317-H410
- REACH Registrations
- Active
- Hazard Classifications
- Aquatic Chronic 1Skin Sens. 1
- Precautionary statements
- P261-P272-P273-P280-P302+P352-P333+P313
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,000,000 - <5,000,000 lb
Consumer UsesSoil amendments (fertilizers)
Industry UsesSoil amendments (fertilizers)
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Ethanone, 2,2-dichloro-1-(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)-: ACTIVE
Applications
UsesBenoxacor is a herbicide used as a part of pesticidal compositions.
UsesHerbicide safener.
Suppliers100 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
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Syntechem Co.,Ltd[email protected]
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江西瑞威尔生物科技有限公司18502728206 · [email protected]
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武汉易泰科技有限公司上海分公司18930552037 · [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]
湖北长耀生物科技有限公司17683887209 17683887209 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
United Life Science020-82099279 18988941402 · [email protected]
新沂市永诚化工有限公司15952286050 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
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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]
武汉欣扬瑞和化学科技有限公司027-83855316 18171155316
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
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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]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
佛山市贝司化工有限公司19584229548 15218144393 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
湖北军瑞生物科技有限公司13971166412 · [email protected]
湖北魏氏化学试剂股份有限公司13125137732 18686406941
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
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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
上海源叶生物科技有限公司13636370518 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
Additional notes
DefinitionChEBI: Benoxacor is a benzoxazine.
Related reactions
3 records
Compound notes
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