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トリフルオロヨードメタン

Trifluoroiodomethane

HCID 16843
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基本情報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
2314-97-8
標準SMILES
FC(F)(F)I
InChIKey
VPAYJEUHKVESSD-UHFFFAOYSA-N
分子式
CF3I
平均分子量
195.91 g/mol
単同位体質量
195.89968

名称と識別子

優先名称
Trifluoroiodomethane
IUPAC
trifluoro(iodo)methane
現地名
トリフルオロヨードメタン
英語名
Trifluoromethyl iodide
分子式
CF3I
分子量
195.91

名称と別名

Trifluoromethyl iodideTRIFLUOROIODOMETHANE2314-97-8IodotrifluoromethaneMethane, trifluoroiodo-Perfluoromethyl iodideMonoiodotrifluoromethane42A379KB0UDTXSID2062325C-F3-IRefChem:191592DTXCID8036815
名称をさらに表示
フレオン13I1トリフルオロメチルヨージドトリフルオロヨードメタンヨードトリフルオロメタンヨウ化トリフルオロメタンよう化トリフルオロメチルトリフルオロ(ヨード)メタンCIF3R13I1FIC-1311FIC-13I1freon13t1Freon13I1Ccris 7782
219-014-5trifluoro(iodo)methaneCF3IMFCD00001060Freon 13T1trifluoromethyliodideTrifluoroiodomethane (ca. 10% in Tetrahydrofuran, ca. 0.5mol/L)Trifluoroiodomethane (ca. 10% in Dimethyl Sulfoxide, ca. 0.6mol/L)

データベース識別子

CAS
2314-97-8
PubChem CID
16843
DTXSID
DTXSID2062325
UNII
42A379KB0U
EC Number
219-014-5
Nikkaji
J86.147B

物性

構造計算による物性補完中

XLogP
2.1
極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
0
重原子数
5
形式電荷
0
複雑度
28.4

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
PFASPFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds
SpringerMaterials PropertiesDunham energy parameter
Density2.3607 @ 32°C
Boiling Point-22.5 °C @760 [mm Hg]
Physical DescriptionGas; [Merck Index] Colorless compressed gas; [Alfa Aesar MSDS]

物理化学的性質

融点
78 °C · <−78 °C(lit.)
沸点
22.5 °C · −22.5 °C(lit.)
比重(密度)
2.361 · 2.361
蒸気圧
540.5 kPa · 540.5kPa at 25℃
屈折率
1.379 · 1.379
闪点
-22.5 °C · -22.5°C
外見
ガス
水溶解度
水にわずかに溶ける。
比熱容量
0.36 J/ · Cp(gas): 0.36 J/(g·K), at 25℃

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 · 6 件

Warning

H341: Suspected of causing genetic defects [Warning Germ cell mutagenicity]

P203, P280, P318, P405, and P501 (click each P-code to see the statement)

Warning

H280 (72.1%): Contains gas under pressure; may explode if heated [Warning Gases under pressure]

P203, P280, P318, P405, P410+P403, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 3 件

Chemical: Methane, trifluoroiodo-

REACH registered substance: Trifluoroiodomethane (EC: 219-014-5)

Trifluoroiodomethane: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

Minimally decreased female mean body weights, changes in serum thyroid hormone levels, and no reproductive or developmental toxicity observed in inhalation study of rats at 2% vapor concentration (whole-body exposure); [DOD] Does not deplete the ozone and possesses very low potential for global warming; [Merck Index] An irritant; Risk of irreversible adverse health effects; [Alfa Aesar MSDS] See Tetrafluoromethane.

Hazard Classes and Categories · 4 件

Press. Gas (Comp.) (72.1%)

Germ cell mutagenicity - category 2

Germ cell mutagenicity - Category 2

Muta. 2

CSL Reaction Information · 6 件

CSL00089

Nitrosyl chloride + TRIFLUOROMETHYL IODIDE + Methyl nitrite

A steel lecture bottle filled with methyl nitrite exploded approximately 45 minutes after being filled. Although methyl nitrite is known to be explosive when heated or exposed to flame, these conditions were not encountered during the synthesis or storage. The cylinder had originally been used to ship iodotrifluoromethane from the gas vendor, and had most recently been used to store nitrosyl chloride.

化学と産業

用途と製造

Uses · 2 件

Used as a trifluoromethylating agent, etchant gas, and alternative to chlorofluorocarbons (fire extinguishers and refrigeration); [Merck Index]

Trifluoroiodomethane (CF3I) is used primarily as a fire suppressant.

General Manufacturing InformationMethane, trifluoroiodo-: ACTIVE
調製方法 · 1 件

製造方法Trifluoromethyl iodide's synthesis method:A glass flask provided with a gas outlet is filled with 80 g. (0.153 mole) of CI4 and 30 g. (0.135 mole) of IF5. The gas outlet is connected via short rubber tubes to several gas traps cooled with liquid nitrogen. Agitation of the vessel produces vigorous evolution of gas. When the reaction subsides, the system is heated for 30 min at 90-100°C. The condensate in the gas traps is then washed with 5% NaOH and fractionated. The yield is 90%.

上流・下流製品情報

上流原料

ヘプタフルオロイソプロピルヨージド2,3-ビス(トリフルオロメチル)-1,1,1,2,3,4,4,4-オクタフルオロブタン

下流製品

2-(トリフルオロメチル)ニコチン酸4-アミノベンゾトリフルオリドSilane, trifluoro(trifluoromethyl)-

関連反応

213 件
反応記録を作成
HRID 26547 の反応式
HRID 26547反応物としてuspto-grants-1979_04
HRID 26557 の反応式
HRID 26557反応物としてuspto-grants-1979_04
HRID 38395 の反応式
HRID 38395反応物としてuspto-grants-2013_09
HRID 81810 の反応式
HRID 81810反応物としてuspto-grants-2014_09
HRID 87579 の反応式
HRID 87579反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 98186 の反応式
HRID 98186反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 101813 の反応式
HRID 101813反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 102090 の反応式
HRID 102090反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
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化合物ノート

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このページの内容基本情報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
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BRN
1732740 · 1732740
安定性
安定。避けるべき物質には、強力な酸化剤が含まれます。直射日光を避けてください。密閉状態で加熱すると爆発の危険性があります。可燃性。
InChI
1S/CF3I/c2-1(3,4)5
InChIKey
VPAYJEUHKVESSD-UHFFFAOYSA-N
SMILES
FC(F)(F)I
LogP
2.41 at · 2.41 at 22.85℃
CAS データベース
2314 · 2314-97-8(CAS DataBase Reference)
NISTの化学物質情報
Methane, trifluoroiodo-(2314-97-8)
EPAの化学物質情報
Trifluoroiodomethane (2314-97-8)
化学的性質 · 1 件

化学的特性Trifluoromethyl iodide is a colourless gas, it is stable under normal temperatures and pressure. However, upon decomposition, it may form acid halides such as hydrogen fluoride (HF) and hydrogen iodide. It is incompatible with oxidizing materials.

Explosive,Flammable,Toxic

Lessons Learned and recommendations:1. Never refill gas cylinders with highly reactive or corrosive compounds, including the original compound contained in the cylinder 2. Limit the amound of highly reactive, toxic, or flammable chemicals to the quantity necessary for planned experiments, or that will be used within a few months.

User-Reported

安全と保護具

Protective Action Criteria (PAC) · 3 件

1500 [ppm]

17000 [ppm]

99000 [ppm]

Other Standards Regulations and Guidelines · 1 件

The NOAEL of 7000 ppm from the reproductive/developmental inhalation study was used as the point of departure (POD) for workplace environmental exposure level (WEEL) value development. After the POD was adjusted to account for interindividual variability, duration of exposure, and database limitations, the resulting 8-hour time-weighted average WEEL value of 500 ppm is expected to provide a significant margin of safety against any potential adverse health effects in workers exposed to CF3I. A 15-minute short-term exposure limit of 1500 ppm was also established to protect workers from potential cardiac effects produced by acute, high-dose inhalation of CF3I.

毒性情報

Toxicity Summary · 1 件

CF3I has low acute inhalation toxicity. The no-observed adverse effect level (NOAEL) of CF3I for cardiac sensitization in dogs was 2000 ppm. In four-week inhalation exposures, the NOAEL for rats was 10,000 ppm, and the NOAEL for mice was 10,000 ppm. In a rat subchronic inhalation study, the lowest observed adverse effect level (LOAEL) was 20,000 ppm for thyroid-related effects; the NOAEL (for non-thyroid-related effects) was 20,000 ppm. In a rat reproductive/developmental inhalation toxicity study, 20,000 ppm CF3I produced minimal general toxicity and no indication of reproductive or developmental toxicity. The LOAEL for parental toxicity (based on thyroid hormone effects) was 2000 ppm, and ,excluding thyroid effects, the parental NOAEL was 7000 ppm CF3I. The thyroid effects in rats were considered of less relevance to human risk assessment than the other systemic effects because of known species-specific differences in sensitivity to thyroid hormone perturbations. CF3I had mixed results in various in vitro and in vivo genotoxicity assays. No chronic toxicity or carcinogenicity studies available.

Toxicity DataLCLo (rat) = 10,000 ppm/4hr

安全データ

F
27
wgk
1
tsca
TSCA listed
rtecs
PB6975000
ridadr
UN 1956 2.2
hs_code
2903780020
risk_code
68
化審法
一般化学物質
hazard_code
Xn,Xi
hazard_note
Irritant
safety_code
36/37
hazard_class
2.2
Hazard Classifications
Muta. 2Ozone 1Press. Gas Compr. Gas
ストレージクラス
2A - Gases
1H-Imidazole, 2,5-bis(trifluoromethyl)-
3-(trifluoroMethyl)pyrazin-2-aMine
2-アミノ-5-ブロモベンゾトリフルオリド
1,1,1,2,2,2-ヘキサフルオロエタン
フッ化メチル
4-アミノ-3-(トリフルオロメチル)ピリジン
ヘプタフルオロプロピルヨージド
2-アミノ-3-クロロベンゾトリフルオリド
4-(トリフルオロメチル)ピリジン
1-ブロモ-4-(トリフルオロメチルチオ)ベンゼン 臭化物
4-(トリフルオロメチルチオ)安息香酸
4-(トリフルオロメチル)-1H-イミダゾール