기본 정보
- CAS
3615-21-2- 표준 SMILES
FC(F)(F)c1nc2c(Cl)c(Cl)ccc2[nH]1- InChIKey
KSROTSBULDYPKA-UHFFFAOYSA-N- 분자식
- C8H3Cl2F3N2
- 평균 분자량
- 255.02 g/mol
- 단동위원소 질량
- 253.962538
개요
Benzimidazole, 4,5-dichloro-2-(trifluoromethyl)- appears as a crystalline solid. Fine white needles when pure; the commercial material is brownish. Used as an herbicide. (EPA, 1998)
이름 및 식별자
- 우선 이름
- Chlorflurazole
- IUPAC
- 4,5-dichloro-2-(trifluoromethyl)-1H-benzimidazole
- 현지명
- 4,5-디클로로-2-트리플루오로메틸벤즈이미다졸
- 영어명
- 4,5-dichloro-2-trifluoromethylBenzimidazole
- 분자식
- C8H3Cl2F3N2
- 분자량
- 255.02
이름 및 동의어
ChlorflurazoleChlorflurazole [ISO]CHLOROFLUORAZOLECaswell No. 327AHSDB 2764UNII-ZXH1IGJ511EPA Pesticide Chemical Code 327200BRN 0960437Benzimidazole, 4,5-dichloro-2-(trifluoromethyl)-CHLORFLURAZOLE [HSDB]DTXSID0041773RefChem:125313
이름 더 보기
4,5-디클로로-2-트리플루오로메틸벤즈이미다졸NC-3363CHLORFLURAZOLCHLORFLURAZOLE)Chloroflurazole.4,5-dichloro-2-(trifluoromethyl)4,5-dichloro-2-trifluoromethylBenzimidazoleBENZIMIDAZOLE,4,5-DICHLORO-2-(TRIFLUOROMETHYL)-4,5-Dichloro-2-trifluoromethyl-1H-benzimidazole4,5-dichloro-2-(trifluoromethyl)-1H-benzoimidazole1H-Benzimidazole, 6,7-dichloro-2-(trifluoromethyl)-
DTXCID80217734,5Dichloro2trifluoromethylbenzimidazole4,5Dichloro2(trifluoromethyl)benzimidazole4,5Dichloro2(trifluoromethyl)1HbenzimidazoleBenzimidazole, 4,5dichloro2(trifluoromethyl)1HBenzimidazole, 4,5dichloro2(trifluoromethyl)1-H-BENZIMIDAZOLE, 4,5-DICHLORO-2-(TRIFLUOROMETHYL)-BENZIMIDAZOLE, 4,5(OR 6,7)-DICHLORO-2-(TRIFLUOROMETHYL)-
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 28.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 249
실험 및 물리화학적 성질
PesticidesPesticides -> Herbicides, Other
LogP
3.49
3.49
Density3.49 @25 °C
Color/FormCRYSTALLINE SOLID, FORMING FINE WHITE NEEDLES WHEN PURE.
Solubility69 PPM IN WATER @ 25 °C; SPARINGLY SOL IN METHYL NAPHTHALENE & BENZENE; SOL UP TO 25% IN ETHANOL, ETHER, CHLOROFORM, PROPYLENE GLYCOL, GLYCEROL FORMAL, METHYL NAPHTHALENE; VERY SOL IN ACETONE.
Flash Point(Non-Specific -- Pesticide, solid, n.o.s.) May burn, but does not ignite readily. (EPA, 1998)
Melting Point
415 to 417 °F (EPA, 1998)
213-214 °C
Vapor Pressure
4e-05 mmHg at 72.5 °F (EPA, 1998)
0.0000029 [mmHg]
4X10-5 MM HG @ 22.5 °C
0.00004 [mm Hg] @22.5 °C
Physical Description
Benzimidazole, 4,5-dichloro-2-(trifluoromethyl)- appears as a crystalline solid. Fine white needles when pure; the commercial material is brownish. Used as an herbicide. (EPA, 1998)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Fire Hazards
(Non-Specific -- Pesticide, solid, n.o.s.) Fire may produce irritating or poisonous gases. Runoff from fire control or dilution water may cause pollution. Avoid amine salts of hormone herbicides, alkali-unstable fungicides or insecticides. (EPA, 1998)
Health Hazards(Non-specific -- Pesticide, solid, n.o.s.) Poisonous if swallowed. Inhalation of dust poisonous. (EPA, 1998)
Hazards SummaryModerately toxic by ingestion in animal studies; Uncouples oxidative phosphorylation in liver suspensions; [HSDB]
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile
BENZIMIDAZOLE, 4,5-DICHLORO-2-(TRIFLUOROMETHYL)- is a halide- and amine-substituted aromatic compound. Neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Lower Explosive Limit (LEL)May burn but does not ignite readily. (EPA, 1998)
Upper Explosive Limit (UEL)May burn but does not ignite readily. (EPA, 1998)
안전 및 보호
화학 및 산업
약리 정보
Metabolism/Metabolites
YIELDS 4,5-DICHLORO-6-HYDROXY-2-TRIFLUOROMETHYLBENZIMIDAZOLE & 4,5-DICHLORO-7-HYDROXY-2-TRIFLUOROMETHYLBENZIMIDAZOLE IN RABBIT & RAT. /FROM TABLE/
MICROSOMAL MIXED FUNCTION OXIDASES OF MOUSE LIVER HYDROXYLATED THE BENZENE MOIETY OF CHLOROFLUORAZOLE. URINE OF RATS ADMIN 1.5 MG ORALLY CONTAINED 6-HYDROXY-4,5-DICHLORO-2-TRIFLUOROMETHYLBENZIMIDAZOLE CONJUGATES MAJOR, 7-HYDROXY-4,5-DICHLORO-2-TRIFLUOROMETHYLBENZIMIDAZOLE CONJUGATES MINOR, & 5-HYDROXY-4,6-DICHLORO-2-TRIFLUOROMETHYLBENZIMIDAZOLE CONJUGATES MINOR.
1ST 24-HR URINARY METAB AFTER ORAL ADMIN TO RABBITS & RATS CONTAINED AFTER ACID HYDROLYSIS 7-HYDROXY-4,5-DICHLORO-2-TRIFLUOROMETHYLBENZIMIDAZOLE, 6-HYDROXY-4,5-DICHLORO-2-TRIFLUOROMETHYLBENZIMIDAZOLE, & 6,7-DIOXO-4,5-DICHLORO-2-TRIFLUOROMETHYLBENZIMIDAZOLE GLUCURONIDES & SULFATES
Absorption, Distribution and ExcretionFOLLOWING ORAL ADMIN TO RATS & RABBITS OF (14)C-LABELED 4,5-DICHLORO-2-TRIFLUOROMETHYLBENZIMIDAZOLE, (14)C WAS EXCRETED IN THE URINE IN 3 DAYS.
용도 및 제조
Uses
Used as herbicide; Formerly manufactured by Fisons LTD; [HSDB]
Farming (Pesticides) [Category: Industry]
HERBICIDE
Formulations/Preparations
CHLORFLURAZOLE 5, CONTAINING 20% OF SODIUM SALT INTENDED FOR USE ON FLAX. CHLORFLURAZOLE W, CONTAINING 20% OF SODIUM SALT & WETTING AGENT, INTENDED FOR USE ON CEREALS. MIXTURES WITH /4-CHLORO-2-METHYLPHENOXYACETIC ACID/ (MCPA) 1 LB CHLORFLURAZOLE LA; 1.5 LB CHLORFLURAZOLE LB; 2.0 LB CHLORFLURAZOLE LC; EACH CONTAINING 1 LB MCPA.
General Manufacturing Information
FORMERLY MANUFACTURED BY FISONS LTD.
INCOMPATIBILITIES: AQUEOUS SALT FORMULATIONS ARE COMPATIBLE WITH SIMILARLY FORMULATED HORMONE WEED KILLERS & WITH TRIAZINES, BUT AMINE SALTS OF HORMONE HERBICIDES ARE NOT COMPATIBLE WITH CHLORFLURAZOLE. ... TREATMENT CAUSES SCORCHING & DRYING OUT OF SUSCEPTIBLE FOLIAGE WITHIN 2-6 DAYS. CHLORFLURAZOLE IS AN ACTIVE UNCOUPLER OF PHOSPHORYLATION IN PLANTS, & IT ALSO APPEARS TO INHIBIT THE HILL REACTION.
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