기본 정보
- 표준 SMILES
O=C1C(Cl)C(CCl)CN1c1cccc(C(F)(F)F)c1- InChIKey
OQZCSNDVOWYALR-UHFFFAOYSA-N- 분자식
- C12H10Cl2F3NO
- 평균 분자량
- 312.11 g/mol
- 단동위원소 질량
- 311.00915396
개요
Flurochloridone is an organochlorine compound, a member of pyrrolidines and a member of (trifluoromethyl)benzenes. It has a role as a carotenoid biosynthesis inhibitor, a herbicide and an agrochemical.
이름 및 식별자
- 우선 이름
- Flurochloridone
- IUPAC
- 3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
- 영어명
- Fluorochloridone
- 분자식
- C12H10Cl2F3NO
- 분자량
- 312.12
이름 및 동의어
Flurochloridone61213-25-0Fluorochloridone3-Chloro-4-(chloromethyl)-1-(3-(trifluoromethyl)phenyl)pyrrolidin-2-oneRaiserRacer3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-oneDTXSID0041987AO023ZB1BP2-Pyrrolidinone, 3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]-DTXCID80219873-Chloro-4-(chloromethyl)-1-(3-(trifluoromethyl)phenyl)-2-pyrrolidinone
이름 더 보기
r402444-CLTARacer 25（3RS，4RSClostene（3RS， 4RS
2-Pyrrolidinone, 3-chloro-4-(chloromethyl)-1-(3-(trifluoromethyl)phenyl)-RefChem:141047R-40244262-661-3flurochloridone (ISO); 3-chloro-4-(chloromethyl)-1-(3-(trifluoromethyl)phenyl)pyrrolidin-2-oneFlurochloridonCaswell No. 721BC12H10Cl2F3NO
데이터베이스 식별자
- CAS
61213-25-0- PubChem CID
- 91677
- DTXSID
DTXSID0041987- ChEMBL
CHEMBL2272973- ChEBI
CHEBI:5131- EC Number
- 262-661-3
- Nikkaji
- J265.193I
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 20.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 350
실험 및 물리화학적 성질
Pesticides
Herbicides
Active substance -> EU Pesticides database: Approved
Environmental transformation -> Pesticides (parent, predecessor)
LogP3.36
Human DrugsPharmaceuticals
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 녹는점
- 67.65 °C · 67.65°C
- 끓는 점
- 212.5 °C · 212.5 °C
- 밀도
- 1.3924 · 1.3924 (estimate)
- 인화점
- 100 °C · >100 °C
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- -3.59 · -3.59±0.60(Predicted)
- 색상
- 옅은 갈색에서 밝은 갈색까지
- Henry's Law Constant
- 2.6 · 2.6×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- LogP
- 3.36 · 3.360
- NIST
- 2 · 2-Pyrrolidinone, 3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]-(61213-25-0)
- EPA
- Flurochloridone (61213-25-0)
화학적 성질
Brown solid. Easily soluble in acetone, chlorobenzene, ethanol, xylene and other organic solvents, with a solubility of 100-150g/L. Solubility in kerosene <5g/L. The solubility in water is 28mg/L. Partition coefficient (n-octanol/water) 2300 (20°C). The half-life is 7d at 60°C and pH 4, 18d at 60°C and pH 7, and the half-life in soil is 11-100d.
안전 및 규제
GHS 분류
GHS Classification
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for 4.2% (3 of 72) of reports.
Danger
H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]
유해성 정보
Regulatory Information
Hazard Traits - Reproductive Toxicity
2008/934/EC, 2011/34/EU, Reg. (EU) 2020/1295, Reg. (EU) 2021/745, Reg. (EU) 2022/708, Reg. (EU) 2023/918, Reg. (EU) No 540/2011
Hazard Classes and Categories
Acute Tox. 4 (88.9%)
Reproductive toxicity - category 1B
Repr. 1B
안전 데이터
- rtecs
- UY5746500
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-27-36/37/39
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationPesticides used to destroy unwanted vegetation, especially various types of weeds, grasses (POACEAE), and woody plants. Some plants develop HERBICIDE RESISTANCE.
용도 및 제조
Use Classification
Pharmaceuticals
Environmental transformation -> Pesticides (parent, predecessor)
응용 분야
용도Flurochloridone (FLC) is a monophenyl pyrrolidinone selective herbicide that can be used in herbicidal composition to control weed in crop fields. It is commonly used to inhibit weeds that occur during the growth of crop plants, such as grains, sunflowers, and potatoes.
상·하류 제품 정보
상류 원료
공급사50 곳
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
江西瑞威尔生物科技有限公司18502728206 · [email protected]
湖北威德利化学试剂有限公司17771473825 13385289472 · [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]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [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]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [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]
上海睿升化工科技有限公司+86-021-50935922
武汉普洛夫生物科技有限公司17612776928 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [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]
上海将来实业股份有限公司021-61552785 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
北京汤普森生物科技有限公司+86-13439059536 +86-15201677815 · [email protected]
徐州弗莱德化工科技有限公司15312683444 · [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]
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]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
湖北威德利化学科技有限公司027-83989310 18627915365
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
湖北威德利化学试剂有限公司18327179646 · [email protected]
湖北玖丰隆化工有限公司13277936479 · [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]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
苏州卓欣雅科技有限公司18506228039 · [email protected]
上海西陇生化科技有限公司021-52907766-8042
湖北猫尔沃生物医药有限公司[email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
湖北威德利化学试剂有限公司15871722230 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
湖北威德利化学试剂有限公司13429867250 13429867250
湖北卓盛新材料科技有限公司18971238634 · [email protected]
南京罗迈美生物科技有限公司[email protected]
추가 설명
정의ChEBI: Flurochloridone is a member of pyrrolidines, a member of (trifluoromethyl)benzenes and an organochlorine compound. It has a role as a carotenoid biosynthesis inhibitor, an agrochemical and a herbicide.
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