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2-フルオロエタノール

2-Fluoroethanol

HCID 9737
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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
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基本情報

CAS
371-62-0
標準SMILES
OCCF
InChIKey
GGDYAKVUZMZKRV-UHFFFAOYSA-N
分子式
C2H5FO
平均分子量
64.06 g/mol
単同位体質量
64.032443

概要

Ethylene fluorohydrin appears as a liquid. Used as a rodenticide, insecticide and acaricide. Not registered as a pesticide in the U.S. (EPA, 1998)

名称と識別子

優先名称
2-Fluoroethanol
IUPAC
2-fluoroethanol
現地名
2-フルオロエタノール
英語名
2-Fluoroethanol
分子式
C2H5FO
分子量
64.06

名称と別名

2-Fluoroethanol371-62-0Ethanol, 2-fluoro-ETHYLENE FLUOROHYDRIN2-Fluoro-1-ethanolbeta-FluoroethanolTL 7414M427A5HMLNSC-1582831-FLUOROETHAN-2-OLDTXSID0059902RefChem:596606
名称をさらに表示
2-フルオロエタノール2-フルオロエタン-1-オールβ-フルオロエチルアルコールエチレンフルオロヒドリン2-フルオロエタノ-ル2-フルオロ-1-エタノールCH2FCH2OHFLUOROETHANOLtl7412-Fluorothanol2-fluoro-ethano
DTXCID8039291206-740-22-fluoroethan-1-ol.beta.-Fluoroethanol2-Fluoro-ethanolMonofluorethanolMonofluoroethanol63919-01-7

データベース識別子

CAS
371-62-0、63919-01-7
PubChem CID
9737
DTXSID
DTXSID0059902
ChEMBL
CHEMBL115586
UNII
4M427A5HML
EC Number
206-740-2
Nikkaji
J5.709F

物性

構造計算による物性補完中

XLogP
-0.8
極性表面積
20.2 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
1
重原子数
4
形式電荷
0
複雑度
10

実験および物理化学的性質

Chemical ClassesFlammable agents - 3rd degree
SpringerMaterials PropertiesSchoenflies notation
PesticidesPesticides -> Other Insecticides
LogP · 2 件

log Kow= -0.67

-0.67

Density · 3 件

1.104 at 68 °F (EPA, 1998) - Denser than water; will sink

1.1040 g/cu cm @ 20 °C

1.1040 @ 20°C

Solubility · 2 件

Miscible in ethanol, ethyl ether; very soluble in acetone

In water, miscible @ 20 °C

Flash Point87.8 °F (EPA, 1998)
Boiling Point · 3 件

218.3 °F at 760 mmHg (EPA, 1998)

103.5 °C

103.5 °C @760 [mm Hg]

Melting Point · 3 件

-15.61 °F (EPA, 1998)

-26.4 °C

-26.45 °C

Vapor Pressure · 3 件

21.3 [mmHg]

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。

GHS分類

GHS Classification · 4 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P316, P320, P321, P330, P361+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Ethanol, 2-fluoro-

2-Fluoroethanol: HSNO Approval: HSR006220 Approved with controls

The 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.)

Other Safety InformationIMAP assessments - Ethanol, 2-fluoro-: Human health tier I assessment
DOT LabelPoison Flammable Liquid
Fire HazardsVery toxic fumes of fluoride may be emitted in a fire. (EPA, 1998)
Health Hazards · 1 件

Toxicity rating is the same as for fluoroacetate, super toxic. The probable oral lethal dose in humans is a taste (less than 7 drops) for a 70 kg (150 lb.) person. The chemical is highly toxic when inhaled or absorbed through the skin. Toxicity depends on its oxidation to fluoroacetate by tissue alcohol dehydrogenase. (EPA, 1998)

Hazards Summary · 1 件

In high-dose animal studies, causes convulsions; [RTECS] Treatment of poisoning is for monofluoroacetate and related compounds; Teratogenic in high-dose rat studies; [HSDB] An irritant; Can be absorbed through skin; [MSDSonline] See Sodium fluoroacetate.

化学と産業

薬理情報

Mechanism of Action · 1 件

The fluoroacetate ion is not poisonous itself but is converted to fluorocitric acid, which blocks the tricarboxylic acid cycle, an essential mechanism of energy production in mammalian cells ... This manifests itself principally in disturbed activities of the central nervous system and of the heart. /Fluoroacetate/

Absorption, Distribution and ExcretionAbsorbed promptly from the alimentary tract ... absorption does not occur through intact skin. /Fluoroacetate/

用途と製造

Uses · 3 件

Used as rodenticide, insecticide, and acaricide (not used in the US); [HSDB]

Farming (Pesticides) [Category: Industry]

Rodenticide, insecticide, and acaricide /non US/

General Manufacturing Information · 2 件

Ethanol, 2-fluoro-: ACTIVE

It is not registered for use as a pesticide in the United States.

応用分野 · 3 件

用途有機合成原料。

使用2-Fluoroethanol, is used in the microwave spectra of two isotopic species of 2-fluoroethanol have been investigated. The Gg conformer of 2-fluoroethanol is isolated in low-temperature noble gas matrices. Single-photon IR photolysis of 2-fluoroethanol in solid argon has been investigated.

一般的な説明A liquid. Used as a rodenticide, insecticide and acaricide. Not registered as a pesticide in the U.S.

上流・下流製品情報

上流原料

2-クロロエタノールエチレングリコール

関連反応

101 件
反応記録を作成
HRID 30583 の反応式
HRID 30583反応物としてuspto-grants-2008_09
HRID 55548 の反応式
HRID 55548反応物としてuspto-grants-1997_04
HRID 80852 の反応式
HRID 80852反応物としてuspto-grants-2014_09
HRID 94396 の反応式
HRID 94396反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 97243 の反応式
HRID 97243反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 99136 の反応式
HRID 99136反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 112749 の反応式
HRID 112749反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 176601 の反応式
HRID 176601反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
1 / 13 ページ

化合物ノート

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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
その他の操作
ノートを作成反応を作成見積依頼を出す

Vapor pressure: 21.25 mm Hg @ 25 °C

21.25 [mm Hg] @25 °C

Physical Description · 2 件

Ethylene fluorohydrin appears as a liquid. Used as a rodenticide, insecticide and acaricide. Not registered as a pesticide in the U.S. (EPA, 1998)

Liquid; [CAMEO] Colorless liquid; [MSDSonline]

物理化学的性質

融点
26.5 °C · −26.5 °C(lit.)
沸点
103 °C757 · 103 °C757 mm Hg(lit.)
比重(密度)
1.091 g/mL · 1.091 g/mL at 25 °C(lit.)
蒸気圧
16 mm · 16 mm Hg ( 20 °C)
屈折率
20 · n20/D 1.365(lit.)
闪点
88 °F · 88 °F
溶解性
完全に混和性。
酸解離定数(Pka)
13.92 · 13.92±0.10(Predicted)
外見
Oil
色
Colourless
BRN
1730857 · 1730857
Henry's Law Constant
4.6 · 4.6×10-1 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
CAS データベース
371 · 371-62-0(CAS DataBase Reference)
NISTの化学物質情報
2 · Ethanol, 2-fluoro-(371-62-0)
EPAの化学物質情報
2 · 2-Fluoroethanol (371-62-0)

化学的性質

化学的特性Ethylene fluorohydrin is a colorless liquid

Reactive GroupAlcohols and Polyols
Special ReportsUSEPA; Chemical Profile: Ethylene fluorohydrin (1985)
Reactivity AlertsHighly Flammable
Reactivity ProfileETHYLENE FLUOROHYDRIN generates very toxic fumes of fluoride that will be emitted in a fire. [EPA, 1998].
Air and Water ReactionsHighly flammable.
Highly Hazardous SubstanceChemical: Ethylene Fluorohydrin

安全と保護具

Fire FightingExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
First AidWarning: Highly toxic when inhaled or absorbed through the skin. Delayed convulsant. Effects usually appear within 30 minutes of exposure but may be delayed as long as 20 hours. Caution is advised. Vital signs should be monitored closely.
Exposure Control and Personal Protection · 1 件

TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].

Nonfire Spill ResponseAvoid inhalation and skin contact. (Non-Specific -- Fluoroacetic Acid) Do not touch spilled material; stop leak if you can do so without risk. Use water spray to reduce vapors.
Disposal Methods · 1 件

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Isolation and EvacuationExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
Protective Action Criteria (PAC) · 3 件

0.0064 [ppm]

0.070 [ppm]

6.9 [ppm]

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)

Acute Exposure Guideline Levels (AEGLs)The compound is currently at the Holding Status AEGLs which have been reviewed by the NAC/AEGL Committee and are on hold due to insufficient data to develop AEGL values.
AEGLs NotesAEGLs Status: Holding

毒性情報

Environmental Fate · 3 件

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 1(SRC), determined from a structure estimation method(2), indicates that ethylene fluorohydrin is expected to have very high mobility in soil(SRC). Volatilization of ethylene fluorohydrin from moist soil surfaces is expected to be an important fate process(SRC) based on the estimated Henry's Law constant of 7.1X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(3). The potential for volatilization of ethylene fluorohydrin from dry soil surfaces may exist(SRC) based upon a vapor pressure of 21.25 mm Hg(4).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1(SRC), determined from a structure estimation method(2), indicates that ethylene fluorohydrin is not expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 1.4X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are calculated to be 3 days and 33 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 3.2(SRC),from its log Kow of -0.67(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low.

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), ethylene fluorohydrin, which has a vapor pressure of 21.25 mm Hg at 25 °C(2) is expected to exist solely as a vapor in the ambient atmosphere(SRC). Vapor-phase ethylene fluorohydrin is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 7 days(SRC), calculated from its rate constant of 2.2X10-12 cu cm/molecule-sec at 25 °C(3).

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Soil Adsorption/Mobility · 1 件

Using a structure estimation method based on molecular connectivity indices(1), the Koc for ethylene fluorohydrin can be estimated to be about 1(SRC). According to a classification scheme(2), this estimated Koc value suggests that ethylene fluorohydrin is expected to have very high mobility in soil.

Human Toxicity Excerpts · 3 件

In a nonfatally poisoned infant only mild emesis and sinus tachycardia preceded four brief episodes of seizure activity over a 12 hr period that began 20 hr after ingestion; recovery was uneventful thereafter. /Fluoroacetate/

An 18-month-old girl with repeated convulsions died in coma 96 hr after ingesting an estimated 23 mg/kg fluoroacetamide. /Fluoroacetate/

SYMPTOMATOLOGY: 1. Prompt epigastric distress and vomiting in one reported case. 2. Apprehension, auditory hallucinations, nystagmus, tingling sensation of nose, facial twitching, numbness of face. These and other central nervous effects appear gradually after a latency of several hours. 3. Central nervous excitation, progressing to epileptiform convulsions. 4. Severe central nervous depression between and subsequent to the convulsive episodes, but death is seldom due to respiratory failure in humans poisoned with fluoroacetate. 5. Disturbances in the mechanism of the heart beat usually appear only after the convulsive phase. 6. Pulse alternans, long sequences of ectopic beats (often multifocal), and ventricular tachycardia may disintegrate into ventricular fibrillation and death. /Fluoroacetate/

Artificial Pollution SourcesEthylene fluorohydrin's production and use in non-US areas as a rodenticide, insecticide, and acaricide will result in its direct release to the environment(SRC). It is not registered for use as a pesticide in the United States(2).
Environmental Bioconcentration · 1 件

An estimated BCF of 3 was calculated for ethylene fluorohydrin using a measured log Kow of -0.67(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low.

Volatilization from Water/Soil · 1 件

The Henry's Law constant for ethylene fluorohydrin is estimated as 7.1X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). The value for the Henry's Law constant indicates that ethylene fluorohydrin is expected to volatilize from water surfaces(2). Based on the Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 33 days(SRC). Ethylene fluorohydrin's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of ethylene fluorohydrin from dry soil surfaces may exist(SRC) based upon a vapor pressure of 21.25 mm Hg(3).

Non-Human Toxicity Excerpts · 1 件

... Pregnant Long-Evans rats were given ethylene fluorohydrin (0.06, 0.36, and 0.6 mg/kg ig) ... from day 6 to day 15 of gestation. ... An increase in sternebral ossification defects were present in all experimental groups. Hydronephrosis was evident in the two highest doses. The high dose group had significant incidences of runting (pup weight less than 2.7 g) and variant rib ossifications. Cardiac septal defects appeared in the hearts of pups of the 0.35 mg.kg group. Pups of dams given 0.6 mg/kg revealed the presence of extra vertebral ossification centers. In the high dose group alone, intrauterine growth retardation was evident based on decreased pup weight .... There were no significant changes in either dam or gestational weight gain observed. Overall, the percentage of implantations resulting in malformed or dead pups in response to oral administration ... increases significantly in a dose-related manner with increasing alcohol concentrations.

Environmental Abiotic Degradation · 1 件

The rate constant for the vapor-phase reaction of ethylene fluorohydrin with photochemically-produced hydroxyl radicals has been estimated as 2.2X10-12 cu cm/molecule-sec at 25 °C(SRC), calculated using a structure estimation method(1). This corresponds to an atmospheric half-life of about 7 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Ethylene fluorohydrin is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(2) nor to directly photolyze due to the lack of absorption in the environmental UV spectrum.

Probable Routes of Human ExposureOccupational exposure to ethylene fluorohydrin may occur through inhalation and dermal contact with this compound at workplaces where ethylene fluorohydrin is produced or used. (SRC)
Environmental Fate/Exposure Summary · 1 件

Ethylene fluorohydrin's production and use in areas other than the US as a rodenticide, insecticide, and acaricide will result in its direct release to the environment. It is not registered for use as a pesticide in the United States. If released to air, a vapor pressure of 21.25 mm Hg at 25 °C indicates ethylene fluorohydrin will exist solely in the vapor phase in the ambient atmosphere. Vapor-phase ethylene fluorohydrin will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 7 days. If released to soil, ethylene fluorohydrin is expected to have very high mobility based upon an estimated Koc of 1.3. Volatilization from moist soil surfaces is expected to be an important fate process based upon an estimated Henry's Law constant of 7.1X10-6 atm-cu m/mole. Ethylene fluorohydrin may volatilize from dry soil surfaces based upon its vapor pressure. If released into water, ethylene fluorohydrin is not expected to adsorb to suspended solids and sediment in water based upon the estimated Koc. Volatilization from water surfaces is expected to be an important fate process based upon this compound's estimated Henry's Law constant. Estimated volatilization half-lives for a model river and model lake are 3 days and 33 days, respectively. An estimated BCF of 3.2 suggests the potential for bioconcentration in aquatic organisms is low. Hydrolysis is not expected to occur due to the lack of hydrolyzable functional groups. Occupational exposure to ethylene fluorohydrin may occur through inhalation and dermal contact with this compound at workplaces where ethylene fluorohydrin is produced or used. (SRC)

Antidote and Emergency Treatment · 2 件

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Monofluoroacetate and related compounds/

Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious or in respiratory arrest. Monitor cardiac rhythm and treat arrhythmias if necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Monofluoroacetate and related compounds/

法規制情報

CERCLA Reportable Quantities · 1 件

Releases of CERCLA hazardous substances are subject to the release reporting requirement of CERCLA section 103, codified at 40 CFR part 302, in addition to the requirements of 40 CFR part 355. Ethylene fluorohydrin is an extremely hazardous substance (EHS) subject to reporting requirements when stored in amounts in excess of its threshold planning quantity (TPQ) of 10 lbs.

安全データ

wgk
3
tsca
TSCA listed
rtecs
KL1575000
ridadr
UN 3383 6.1/PG 1
hs_code
29055900
risk_code
10-26/27/28-36/37/38
hazard_code
T+,T,F
safety_code
36/37/39-45-23-16
hazard_class
6.1
packing_group
I
有毒物質データの
371-62-0(Hazardous Substances Data)
2-フルオロ酢酸
4-Fluoro-L-threonine
フルオロ酢酸メチル
2,2,2-トリフルオロエタンスルホン酸
5′-アデノシルフルオリド
酸化エチレン
2-ブロモエタノール
炭酸 ジエチル
ニトロベンゼン
エチレンカルボナート

下流製品

p-トルエンスルホン酸2-フルオロエチル4-ニトロペルオキシ安息香酸2-Thiazolamine, N-cyclohexyl-4,5-dihydro-2-[2-(2-フルオロエトキシ)エトキシ]エタノール2-フルオロ-1-ブロモエタン2-フルオロエチル=ベンゾアートメタンスルホン酸2-フルオロエチル