基本情報
- 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
- 195.89968266
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
名称をさらに表示
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
- 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
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℃
- 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
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.
安全と法規制
GHS分類
GHS Classification
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
Chemical: Methane, trifluoroiodo-
Status: Active Update: 04-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/24892
Trifluoroiodomethane: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
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
Press. Gas (Comp.) (72.1%)
Germ cell mutagenicity - category 2
Germ cell mutagenicity - Category 2
Muta. 2
CSL Reaction Information
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.
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)
1500 [ppm]
17000 [ppm]
99000 [ppm]
Other Standards Regulations and Guidelines
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
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.
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
化学と産業
用途と製造
Uses
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.
調製方法
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%.
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