벤녹사코르
Benoxacor
기본 정보
- CAS
98730-04-2- 표준 SMILES
CC1COc2ccccc2N1C(=O)C(Cl)Cl- InChIKey
PFJJMJDEVDLPNE-UHFFFAOYSA-N- 분자식
- C11H11Cl2NO2
- 평균 분자량
- 260.11 g/mol
- 단동위원소 질량
- 259.016684
개요
Benoxacor is a benzoxazine.
이름 및 식별자
- 우선 이름
- Benoxacor
- IUPAC
- 2,2-dichloro-1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
- 현지명
- 벤녹사코르
- 영어명
- Benoxacor
- 분자식
- C11H11Cl2NO2
- 분자량
- 260.12
이름 및 동의어
BENOXACOR98730-04-22,2-dichloro-1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanoneUAI2652GEVEthanone, 2,2-dichloro-1-(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)-DTXSID3029572CGA-154281DTXCID8095724-(dichloroacetyl)-3,4-dihydro-3-methyl-2h-1,4-benzoxazineRefChem:117017619-372-6CGA 154 281
이름 더 보기
벤녹사코르SOFITprimextrasBRN4190275BRN-4190275Benoxacor 10BENOXACOR, 96%TCBENOXACOR STANDARD
BRN 41902752,2-dichloro-1-(3-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethanone2H-1,4-Benzoxazine, 4-(dichloroacetyl)-3,4-dihydro-3-methyl-2,2-dichloro-1-(3-methyl-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)ethan-1-oneMFCD01311820DSSTox_CID_95722,2-dichloro-1-(3-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-ethanone4-(Dichloroacetyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
데이터베이스 식별자
- CAS
98730-04-2- PubChem CID
- 62306
- DTXSID
DTXSID3029572- ChEMBL
CHEMBL2269059- ChEBI
CHEBI:3016- UNII
- UAI2652GEV
- EC Number
- 619-372-6
- Nikkaji
- J438.573J
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 29.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 273
실험 및 물리화학적 성질
PesticidesPesticide (Benoxacor) -> USDA PDB
LogP2.7
Physical DescriptionLarge Crystals; Liquid; Other Solid
물리화학적 성질
- 녹는점
- 105 · 105-107°
- 끓는 점
- 240 °C · 240°C (rough estimate)
- 밀도
- 1.3416 · 1.3416 (rough estimate)
- 증기압
- 0.002 Pa · 0.002Pa at 25℃
- 굴절률
- 1.607 · 1.6070 (estimate)
- 인화점
- 107 °C · >107 °C
- 저장 조건
- 0 · 0-6°C
- 용해도
- 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 1.2 · 1.20±0.40(Predicted)
- 색상
- 옅은 갈색에서 밝은 갈색까지
- 수용성
- 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)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
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.
REACH registered substance: (RS)-2,2-dichloro-1-(3-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethanone (EC: 619-372-6)
Hazard Classes and CategoriesSkin Sens. 1 (82%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- DM3029000
- 독성
- LD50 (mg/kg): >5000 orally in rats; >2010 dermally in rabbits; LC50 in rats (mg/l): >2000 by inhalation (Fed. Regist.)
- HS 번호
- 29349990
- Hazard Classifications
- Aquatic Chronic 1Skin Sens. 1
- 스토리지 클래스
- 13 - Non Combustible Solids
화학 및 산업
용도 및 제조
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
응용 분야
용도Herbicide safener.
관련 반응
3건
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