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4,5-ジクロロ-2-トリフルオロメチル-1H-ベンゾイミダゾール

Chlorflurazole

HCID 19232
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
3615-21-2
標準SMILES
FC(F)(F)c1nc2c(Cl)c(Cl)ccc2[nH]1
InChIKey
KSROTSBULDYPKA-UHFFFAOYSA-N
分子式
C8H3Cl2F3N2
平均分子量
255.02 g/mol
単同位体質量
253.962538

概要

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)

名称と識別子

優先名称
Chlorflurazole
IUPAC
4,5-dichloro-2-(trifluoromethyl)-1H-benzimidazole
現地名
4,5-ジクロロ-2-トリフルオロメチル-1H-ベンゾイミダゾール
英語名
4,5-dichloro-2-trifluoromethylBenzimidazole
分子式
C8H3Cl2F3N2
分子量
255.02

名称と別名

ChlorflurazoleChlorflurazole [ISO]CHLOROFLUORAZOLECaswell No. 327AHSDB 2764UNII-ZXH1IGJ511EPA Pesticide Chemical Code 327200BRN 0960437Benzimidazole, 4,5-dichloro-2-(trifluoromethyl)-CHLORFLURAZOLE [HSDB]DTXSID0041773RefChem:125313
名称をさらに表示
クロルフルラゾール4,5-ジクロロ-2-トリフルオロメチル-1H-ベンゾイミダゾール4,5-ジクロロ-2-(トリフルオロメチル)-1H-1,3-ベンゾジアゾールNC-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)-

物性

構造計算による物性

XLogP
3.6
極性表面積
28.7 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
0
重原子数
15
形式電荷
0
複雑度
249

実験および物理化学的性質

PesticidesPesticides -> Herbicides, Other
LogP · 2 件

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 · 2 件

415 to 417 °F (EPA, 1998)

213-214 °C

Vapor Pressure · 4 件

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 · 2 件

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)

Solid (white when pure); Commercial product is brownish; [HSDB]

安全と法規制

安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。

危険有害性情報

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 · 1 件

(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 · 1 件

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)

安全と保護具

化学と産業

薬理情報

Metabolism/Metabolites · 3 件

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.

用途と製造

Uses · 3 件

Used as herbicide; Formerly manufactured by Fisons LTD; [HSDB]

Farming (Pesticides) [Category: Industry]

HERBICIDE

Formulations/Preparations · 1 件

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 · 3 件

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.

関連反応

0 件
反応記録を作成

現在のフィルター条件では反応記録がありません。

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート

データベース識別子

CAS
3615-21-2
PubChem CID
19232
DTXSID
DTXSID0041773
UNII
ZXH1IGJ511
Nikkaji
J8.183C
Stability/Shelf Life... VOLATILITY LOW ... AQUEOUS SALT FORMULATIONS ARE BELIEVED CHEMICALLY STABLE IN AIR.
Other Experimental Properties · 3 件

NO DETECTABLE HYDROLYSIS IN AQ ACID OR ALKALI & NO REACTION AT ROOM TEMP WITH NORMAL LAB OXIDIZING AGENTS.

Brownish /Commercial material/

THE 1-HYDROGEN HAS ACIDIC PROPERTIES (PKA 6.96) FORMING WATER-SOL ALKALI METAL AND AMMONIUM SALTS.

物理化学的性質

融点
213.5 °C · 213.5°C
沸点
337.8 · 337.8±42.0 °C(Predicted)
比重(密度)
1.5776 · 1.5776 (estimate)
酸解離定数(Pka)
7.34 · 7.34±0.10(Predicted)
水溶解度
60 mg/L · 60mg/L(温度表記なし)
EPAの化学物質情報
Chlorflurazole (3615-21-2)
Fire Fighting · 1 件

(Non-Specific -- Pesticide, solid, n.o.s.) Keep unnecessary people away; isolate hazard area and deny entry. Stay upwind; keep out of low areas. Wear self-contained (positive pressure if available) breathing apparatus and full protective clothing.

First Aid · 1 件

Inhalation and ingestion are routes of entry. Non-Specific -- Pesticide, solid, n.o.s.Move victim to fresh air; call emergency medical care. Remove and isolate contaminated clothing and shoes at the site. In case of contact with material, immediately flush skin or eyes with running water for at least 15 minutes. (EPA, 1998)

Nonfire Spill Response(Non-Specific -- Pesticide, solid, n.o.s.) Do not touch spilled material; stop leak if you can do it without risk.
Protective Action Criteria (PAC) · 3 件

1.2 [mg/m3]

13 [mg/m3]

78 [mg/m3]

Personal Protective Equipment (PPE) · 1 件

For emergency situations, wear a positive pressure, pressure-demand, full facepiece self-contained breathing apparatus (SCBA) or pressure- demand supplied air respirator with escape SCBA and a fully-encapsulating, chemical resistant suit. (EPA, 1998)

毒性情報

Non-Human Toxicity Excerpts · 1 件

NON-PHYTOTOXIC TO CEREALS. BEES EXPOSED TO SPRAY WERE UNAFFECTED BY 1000 PPM PURE CHLORFLURAZOLE AS AQUEOUS SUSPENSION OR SODIUM SALT SOLN, BUT WERE KILLED BY 4000 PPM. ... AN UNCOUPLER OF OXIDATIVE PHOSPHORYLATION CAUSING 50% UNCOUPLING OF RAT LIVER MITOCHONDRIAL OXIDATIVE PHOSPHORYLATION AT 6X10-7 MOLAR ALSO STIMULATING ATPASE ACTIVITY & CELL RESPIRATION.

Antidote and Emergency Treatment · 3 件

1. SKIN CONTAMINATION SHOULD BE REMOVED PROMPTLY BY WASHING WITH SOAP AND WATER. CONTAMINATION OF THE EYES SHOULD BE TREATED IMMEDIATELY BY PROLONGED FLUSHING OF THE EYES WITH COPIOUS AMOUNTS OF CLEAN WATER. IF DERMAL OR OCULAR IRRITATION PERSISTS, MEDICAL ATTENTION SHOULD BE OBTAINED WITHOUT DELAY. /OTHER HERBICIDES/

2. INGESTIONS OF THESE HERBICIDES ARE LIKELY TO BE FOLLOWED BY VOMITING AND DIARRHEA DUE TO THE IRRITANT PROPERTIES OF MOST OF THE TOXICANTS. ... A. IF LARGE AMOUNTS OF HERBICIDE HAVE BEEN INGESTED, AND IF THE PATIENT IS FULLY ALERT INDUCE EMESIS WITH SYRUP OF IPECAC, FOLLOWED BY SEVERAL GLASSES OF WATER. DOSAGE FOR ADULTS AND CHILDREN OVER 12 YEARS: 30 ML; DOSAGE FOR CHILDREN UNDER 12 YEARS 15 ML. WHEN VOMITING HAS STOPPED, GIVE ACTIVATED CHARCOAL. ADD SORBITOL TO THE CHARCOAL SLURRY UNLESS DIARRHEA HAS ALREADY COMMENCED. IF, FOR SOME REASON, THE PATIENT IS NOT FULLY ALERT, PUT IN PLACE A CUFFED ENDOTRACHEAL TUBE TO PROTECT THE AIRWAY, THEN ASPIRATE AND LAVAGE THE STOMACH WITH A SLURRY OF ACTIVATED CHARCOAL. LEAVE A QUANTITY OF CHARCOAL, WITH SORBITOL, IN THE STOMACH BEFORE WITHDRAWING THE STOMACH TUBE. REPEATED ADMINISTRATION OF CHARCOAL AT HALF OR MORE THE INITIAL DOSAGE EVERY 2-4 HOURS MAY BE BENEFICIAL. /OTHER HERBICIDES/

2. B. IF THE AMOUNT OF INGESTED HERBICIDES WAS SMALL, IF EFFECTIVE EMESIS HAS ALREADY OCCURRED, OR IF TREATMENT IS DELAYED, ADMINISTER THE ACTIVATED CHARCOAL AND SORBITOL BY MOUTH. C. IF SERIOUS DEHYDRATION AND ELECTROLYTE DEPLETION HAVE OCCURRED AS A RESULT OF VOMITING AND DIARRHEA, MONITOR BLOOD ELECTROLYTES AND AND FLUID BALANCE AND ADMINISTER INTRAVENOUS INFUSIONS OF GLUCOSE, NORMAL SALINE RINGER'S SOLUTION, OR RINGER'S LACTATE TO RESTORE EXTRACELLULAR FLUID VOLUME AND ELECTROLYTES. FOLLOW THIS WITH ORAL NUTRIENTS AS SOON AS FLUIDS CAN BE RETAINED. FLUIDS SERVE TO SUPPORT EXCRETION OF THE TOXICANTS. D. SUPPORTIVE MEASURES ARE ORDINARILY SUFFICIENT FOR SUCCESSFUL MANAGEMENT OF EXCESSIVE EXPOSURES TO THESE HERBICIDES. /OTHER HERBICIDES/

安全データ

ridadr
2588
hazard_class
6.1(a)
packing_group
II
有毒物質データの
3615-21-2(Hazardous Substances Data)

INCOMPATIBILITIES: ON ACCOUNT OF THE ALKALINITY, AQUEOUS SALT FORMULATIONS SHOULD NOT BE MIXED WITH VERY ALKALI-UNSTABLE FUNGICIDES OR INSECTICIDES.

応用分野

一般的な説明A crystalline solid. Fine white needles when pure; the commercial material is brownish. Used as an herbicide.

サプライヤー2 社

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