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트라이플루오로요도메탄

Trifluoroiodomethane

HCID 16843
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기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
2314-97-8
표준 SMILES
FC(F)(F)I
InChIKey
VPAYJEUHKVESSD-UHFFFAOYSA-N
분자식
CF3I
평균 분자량
195.91 g/mol
단동위원소 질량
195.89968

이름 및 식별자

우선 이름
Trifluoroiodomethane
IUPAC
trifluoro(iodo)methane
현지명
트라이플루오로요도메탄
영어명
Trifluoromethyl iodide
분자식
CF3I
분자량
195.91

이름 및 동의어

Trifluoromethyl iodideTRIFLUOROIODOMETHANE2314-97-8IodotrifluoromethaneMethane, trifluoroiodo-Perfluoromethyl iodideMonoiodotrifluoromethane42A379KB0UDTXSID2062325C-F3-IRefChem:191592DTXCID8036815
이름 더 보기
트라이플루오로요도메탄트리플루오로메틸요오다이드CIF3R13I1FIC-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)

데이터베이스 식별자

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

물성

구조 계산 물성보충 중

XLogP
2.1
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
0
무거운 원자 수
5
형식 전하
0
복잡도
28.4

실험 및 물리화학적 성질

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]

물리화학적 성질

녹는점
78 °C · <−78 °C(lit.)
끓는 점
22.5 °C · −22.5 °C(lit.)
밀도
2.361 · 2.361
증기압
540.5 kPa · 540.5kPa at 25℃
굴절률
1.379 · 1.379
인화점
-22.5 °C · -22.5°C
물리적 상태
가스
수용성
물에 약간 용해됩니다.
비열
0.36 J/ · Cp(gas): 0.36 J/(g·K), at 25℃

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

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)

유해성 정보

Regulatory Information · 3건

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 · 1건

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 · 4건

Press. Gas (Comp.) (72.1%)

Germ cell mutagenicity - category 2

Germ cell mutagenicity - Category 2

Muta. 2

CSL Reaction Information · 6건

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.

화학 및 산업

용도 및 제조

Uses · 2건

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
제조 방법 · 1건

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%.

상·하류 제품 정보

상류 원료

Heptafluoroisopropyl iodide퍼플루오로(2,3-다이메틸부탄)

하류 제품

2-(Trifluoromethyl)nicotinic acid4-아미노벤조트리플로라이드Silane, trifluoro(trifluoromethyl)-1H-Imidazole, 2,5-bis(trifluoromethyl)-3-(trifluoroMethyl)pyrazin-2-aMine

관련 반응

213건
반응 기록 만들기
HRID 26547 반응식
HRID 26547반응물로uspto-grants-1979_04
HRID 26557 반응식
HRID 26557반응물로uspto-grants-1979_04
HRID 38395 반응식
HRID 38395반응물로uspto-grants-2013_09
HRID 81810 반응식
HRID 81810반응물로uspto-grants-2014_09
HRID 87579 반응식
HRID 87579반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 98186 반응식
HRID 98186반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 101813 반응식
HRID 101813반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 102090 반응식
HRID 102090반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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BRN
1732740 · 1732740
안정성
안정적인. 피해야 할 물질에는 강한 산화제가 포함됩니다. 직사광선을 피하세요. 밀폐된 상태에서 가열하면 폭발 위험이 있습니다. 가연성.
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℃
NIST
Methane, trifluoroiodo-(2314-97-8)
EPA
Trifluoroiodomethane (2314-97-8)
화학적 성질 · 1건

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

안전 및 보호

Protective Action Criteria (PAC) · 3건

1500 [ppm]

17000 [ppm]

99000 [ppm]

Other Standards Regulations and Guidelines · 1건

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.

독성 정보

Toxicity Summary · 1건

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

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
PB6975000
ridadr
UN 1956 2.2
HS 번호
2903780020
risk_code
68
hazard_code
Xn,Xi
safety_code
36/37
위험 등급
2.2
기존화학 물질
2003-3-2382
F 고인화성물질
27
위험 참고 사항
Irritant
Hazard Classifications
Muta. 2Ozone 1Press. Gas Compr. Gas
스토리지 클래스
2A - Gases
2-Amino-5-bromobenzotrifluoride
헥사플루오로에테인(헥사플루오르에탄)
플루오린화 메틸(플루오르화 메틸)
4-Amino-3-(trifluoromethyl)pyridine
PERFLUOROPROPYL IODIDE
2-AMINO-3-CHLOROBENZOTRIFLUORIDE
4-(Trifluoromethyl)pyridine
4-(TRIFLUOROMETHYLTHIO)BROMOBENZENE
4-(트리플루오로메틸티오)벤조산
4-(트리플루오로메틸)-1H-이미다졸