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부타페나실

Butafenacil

HCID 11826859
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
134605-64-4
표준 SMILES
C=CCOC(=O)C(C)(C)OC(=O)c1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1Cl
InChIKey
JEDYYFXHPAIBGR-UHFFFAOYSA-N
분자식
C20H18ClF3N2O6
평균 분자량
474.8 g/mol
단동위원소 질량
474.0805485

이름 및 식별자

우선 이름
Butafenacil
IUPAC
(2-methyl-1-oxo-1-prop-2-enoxypropan-2-yl) 2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoate
현지명
부타페나실
영어명
BUTAFENACIL
분자식
C20H18ClF3N2O6
분자량
474.81

이름 및 동의어

Butafenacil134605-64-4FluobutracilINSPIREDTXSID9034365CGA 276854CGA-2768547Z141CCP2RDTXCID7014365CHEBI:143863WC-97171,1-DIMETHYL-2-OXO-2-(2-PROPENYLOXY)ETHYL 2-CHLORO-5-(3,6-DIHYDRO-3-METHYL-2,6-DIOXO-4-(TRIFLUOROMETHYL)-1(2H)-PYRIMIDINYL)BENZOATE
이름 더 보기
부타페나실Butafenacil in Acetonitrilecga276854CGA 276865C10860800 ButafenacilFenpyroximate Impurity 7butafenacil (bsi, pa iso)G-6-PDH CONTROL, INTERMEDIATE
1-(ALLYLOXYCARBONYL)-1-METHYLETHYL 2-CHLORO-5-(1,2,3,6-TETRAHYDRO-3-METHYL-2,6-DIOXO-4-(TRIFLUOROMETHYL)PYRIMIDIN-1-YL)BENZOATEBenzoic acid, 2-chloro-5-(3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl)-, 1,1-dimethyl-2-oxo-2-(2-propenyloxy)ethyl ester1-(allyloxycarbonyl)-1-methylethyl 2-chloro-5-[1,2,3,6-tetrahydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoateRefChem:121967603-837-5prop-2-en-1-yl 2-(2-chloro-5-(3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl)benzoyloxy)-2-methylpropanoateButafenacil allyl(2-methyl-1-oxo-1-prop-2-enoxypropan-2-yl) 2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoate

데이터베이스 식별자

물성

구조 계산 물성

XLogP
3.5
극성 표면적
93.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
9
회전 가능 결합 수
8
무거운 원자 수
32
형식 전하
0
복잡도
842

실험 및 물리화학적 성질

Collision Cross Section · 2건

209.9 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID9034365]

208.59 Ų [M+H]+ [CCS Type: TW]

물리화학적 성질

끓는 점
539.4 · 539.4±60.0 °C(Predicted)
밀도
1.406 · 1.406±0.06 g/cm3(Predicted)
증기압
0 Pa · 0Pa at 25℃
저장 조건
0 · 0-6°C
산도 계수 (pKa)
-4.21 · -4.21±0.40(Predicted)
수용성
10 mg/L · 10mg/L at 25℃
주요 응용
농업환경
InChI
1S/C20H18ClF3N2O6/c1-5-8-31-17(29)19(2,3)32-16(28)12-9-11(6-7-13(12)21)26-15(27)10-14(20(22,23)24)25(4)18(26)30/h5-7,9-10H,1,8H2,2-4H3
InChIKey
JEDYYFXHPAIBGR-UHFFFAOYSA-N
SMILES
CN1C(=O)N(C(=O)C=C1C(F)(F)F)c2ccc(Cl)c(c2)C(=O)OC(C)(C)C(=O)OCC=C
LogP
3.19 at · 3.19 at 25℃
EPA
Butafenacil (134605-64-4)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

Warning

H373 (43.3%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (43.3%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P260, P273, P319, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 67 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 3건

Butafenacil is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)

Status: No longer Valid Update: 27-08-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6173

Benzoic acid, 2-chloro-5-3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl-, 1,1-dimethyl-2-oxo-2-(2-propenyloxy)ethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSTOT RE 2 (43.3%);Aquatic Acute 1 (100%);Aquatic Chronic 1 (43.3%)

독성 정보

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

화학 및 산업

용도 및 제조

UsesThis is a man-made compound that is used as a pesticide.
Use ClassificationEnvironmental transformation -> Pesticides (parent, predecessor)

응용 분야

용도Butafenacil is a uracil based herbicide that function via the inhibition of protoporphyrinogen oxidase.

상·하류 제품 정보

상류 원료

2-클로로-5-니트로 벤조익 산메틸2-클로로-5-니트로벤조에이트

공급사40 곳

阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
United Life Science020-82099279 18988941402 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]

관련 반응

2건
반응 기록 만들기
HRID 1533434 반응식
HRID 1533434생성물로uspto-grants-2001_03
HRID 1533435 반응식
HRID 1533435생성물로uspto-grants-2001_03

화합물 노트

불러오는 중…

이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
CAS
134605-64-4
PubChem CID
11826859
DTXSID
DTXSID9034365
ChEMBL
CHEMBL1867342
ChEBI
CHEBI:143863
UNII
7Z141CCP2R
EC Number
603-837-5
Nikkaji
J1.647.113E
RAIS Toxicity Values · 2건

0.012

OPP

EPA Human Health Benchmarks for Pesticides · 5건

Butafenacil

0.012

71

General Population

Human Health Benchmarks for Pesticides - 2021 Update

규제 정보

Regulatory Information · 3건

Butafenacil is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)

Status: No longer Valid Update: 27-08-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6173

Benzoic acid, 2-chloro-5-3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl-, 1,1-dimethyl-2-oxo-2-(2-propenyloxy)ethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

안전 데이터

wgk
2
ridadr
UN3077 9/PG 3
risk_code
50/53
hazard_code
N
safety_code
60-61
Hazard Classifications
Aquatic Acute 1Aquatic Chronic 1STOT RE 2 Oral
스토리지 클래스
13 - Non Combustible Solids
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18516304666
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杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
北京坛墨质检科技有限公司010-52889049 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
海蔚化学86-21-51086038 · [email protected]
湖北摆渡化学有限公司027-59106051 13627137652 · [email protected]
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TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
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重庆卡兰医药有限公司[email protected]
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HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Henan Fengda Chemical Co., Ltd+86-371-86557731 +86-13613820652 · [email protected]
南通众合化工新材料有限公司0513-85666561 15950816326 · [email protected]