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2,4,6-トリフルオロ-1,3,5-トリアジン

Cyanuric fluoride

HCID 12664
ノートを作成反応を作成見積依頼を出す
印刷プレビュー
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
675-14-9
標準SMILES
Fc1nc(F)nc(F)n1
InChIKey
VMKJWLXVLHBJNK-UHFFFAOYSA-N
分子式
C3F3N3
平均分子量
135.05 g/mol
単同位体質量
135.00443166

概要

Cyanuric fluoride is a liquid. (EPA, 1998)

名称と識別子

優先名称
Cyanuric fluoride
IUPAC
2,4,6-trifluoro-1,3,5-triazine
現地名
2,4,6-トリフルオロ-1,3,5-トリアジン
英語名
Cyanuric fluoride
分子式
C3F3N3
分子量
135.05

名称と別名

CYANURIC FLUORIDE2,4,6-Trifluoro-1,3,5-triazine675-14-9TrifluorotriazineTrifluoro-s-triazineCyanuric trifluoride2,4,6-Trifluoro-s-triazines-Triazine, 2,4,6-trifluoro-1,3,5-Triazine, 2,4,6-trifluoro-Trifluoro-1,3,5-triazine2,4,6-Trifluoro-sym-triazines-Triazine, 2,4,6-trifluro-
名称をさらに表示
2,4,6-トリフルオロ-1,3,5-トリアジンCyanuric FlourideNSC 168386Cyanuricfluoride,98%Cyanuric fluoride 98%
2,4,6-Trifluorotriazine31KW4S5FBBNSC-168386DTXSID60609751,3,5-TRIFLUORO-2,4,6-TRIAZINERefChem:129129DTXCID2044896211-620-8

データベース識別子

CAS
675-14-9
PubChem CID
12664
DTXSID
DTXSID6060975
UNII
31KW4S5FBB
EC Number
211-620-8
Nikkaji
J14.172K

物性

構造計算による物性

XLogP
1.3
極性表面積
38.7 Ų
水素結合供与体数
0
水素結合受容体数
6
回転可能結合数
0
重原子数
9
形式電荷
0
複雑度
69.3

実験および物理化学的性質

Chemical ClassesOther Classes -> Other Organic Compounds
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Density · 2 件

1.60 at 25 °C/4 °C

1.60 @25 °C

Color/FormColorless
Boiling Point · 2 件

72.8 °C

72.4 °C @760 [mm Hg]

Melting Point · 2 件

-38 °C

-38 °C

Refractive IndexIndex of refraction: 1.3844 at 24 °C/D
Physical Description · 2 件

Cyanuric fluoride is a liquid. (EPA, 1998)

Colorless liquid; [HSDB]

物理化学的性質

融点
-38 °C · -38°C
沸点
73 · 73-74°C
比重(密度)
1 · 1,6 g/cm3
屈折率

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

H310+H330 (16.7%): Fatal in contact with skin or if inhaled [Danger Acute toxicity, dermal; acute toxicity, inhalation]

P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 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 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.)
DOT LabelPoison Inhalation Hazard Corrosive
Fire HazardsWhen heated to decomposition, it emits very toxic fumes of fluorides and nitrogen oxides. Avoid decomposing heat. (EPA, 1998)
Health HazardsThis material is highly toxic by skin contact and inhalation. (EPA, 1998)
Hazards Summary · 1 件

Cyanuric fluoride is irritating to the skin, eyes, and respiratory tract. Information is limited, but it is not known to cause cyanide poisoning. It is absorbed through the skin. When heated to decomposition, fumes of fluorides and oxides of nitrogen are formed. [HSDB] In high-dose inhalation studies, animals develop pulmonary edema. [ChemIDplus]

Reactive GroupAmines, Phosphines, and Pyridines
Reactivity AlertsWater-Reactive

化学と産業

用途と製造

Uses · 4 件

Used to produce fiber-reactive dyes; [HSDB]

... Used to manufacture reactive dyes.

Specific reagent for tyrosine residues in enzymes ... can also serve as a fluorinating agent in fluorodehydroxylation reactions ... preparation of acid fluorides from the corresponding carboxylic acid ... application in peptide syntheis from amino acids through the corresponding acid fluoride.

Used to manufacture reactive dyes by reaction between one or two fluorine substituents with amino groups of chromophores; the remaining fluorine binds to the fiber

Methods of Manufacturing · 2 件

Can be prepared from cyanuric chloride with numerous fluorinating agents, eg, pentavalent antimony chlorofluoride, silver monofluoride, potassium fluoride, sodium fluoride, potassium fluorosulfinate, and sulfur tetrafluoride ... .

2,4,6-Trifluoro-1,3,5-triazine ... is produced commercially from 2,4,6-trichloro-1,3,5-triazine (cyanuric chloride) with either anhydrous hydrogen fluoride or sodium fluoride in sulfolane.

General Manufacturing Information · 2 件

1,3,5-Triazine, 2,4,6-trifluoro-: ACTIVE

Cyanuric fluoride has been offered commercially for biochemical applications, eg, as a specific reagent for tyrosine.

応用分野 · 2 件

使用Cyanuric fluoride acts as a fluorinating agent used in the conversion of carboxylic acids into acyl fluorides. It is used as a precursor for fibre-reactive dyes. It is a specific reagent for tyrosine residues in enzyme. Further, it is involved in the preparation of cyanuric acid by hydrolysis

一般的な説明Liquid.

調製方法 · 1 件

製造方法In a dry three-necked flask equipped with stirrer, thermometer and reflux condenser, add 0.2mol (36.9g) of cyanuric chloride, 0.63mol (36.5g) of finely ground anhydrous potassium fluoride, 60mL of xylene and 2.0g of polyethylene glycol-600, heat and stir at 110℃, reflux for 16h and distill after a little cooling, collect the fraction at 72℃~75℃, and get liquid of cyanuric trioxide.

関連反応

137 件
反応記録を作成
HRID 7227 の反応式
HRID 7227反応物としてuspto-grants-2006_08
HRID 7228 の反応式
HRID 7228反応物としてuspto-grants-2006_08
HRID 7229 の反応式
HRID 7229反応物としてuspto-grants-2006_08
HRID 7230 の反応式
HRID 7230反応物としてuspto-grants-2006_08
HRID 7231 の反応式
HRID 7231反応物としてuspto-grants-2006_08
HRID 7232 の反応式
HRID 7232反応物としてuspto-grants-2006_08
HRID 7233 の反応式
HRID 7233反応物としてuspto-grants-2006_08
HRID 7234 の反応式
HRID 7234反応物としてuspto-grants-2006_08
1 / 18 ページ

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
その他の操作
ノートを作成反応を作成見積依頼を出す
1.348 · 1.348
闪点
73 · 73-74°C
貯蔵温度
Hygroscopic, Refrigerator, under inert atmosphere
溶解性
クロロホルム、四塩化炭素、エーテル、ジオキサン、ケトンと混和します。
酸解離定数(Pka)
-2.62 · -2.62±0.10(Predicted)
外見
油
色
無色透明
BRN
124237 · 124237
CAS データベース
675 · 675-14-9(CAS DataBase Reference)
NISTの化学物質情報
1 · 1,3,5-Triazine, 2,4,6-trifluoro-(675-14-9)
EPAの化学物質情報
Cyanuric fluoride (675-14-9)

化学的性質

化学的特性Colorless liquid. Decompose violently with water and alcohol.

Reactivity Profile
Cyanuric fluoride is used as a mild fluorinating agent for organic chemicals, and it reacts with water in a manner similar to an acyl halide, forming hydrofluoric acid and cyanuric acid.
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Highly Hazardous SubstanceChemical: Cyanuric Fluoride
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. Cyanuric fluoride is an extremely hazardous substance (EHS) subject to reporting requirements when stored in amounts in excess of its threshold planning quantity (TPQ) of 100 lbs.

Hazard Classes and CategoriesAcute Tox. 2 (100%)

安全と保護具

Fire FightingExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
First Aid · 1 件

Signs and Symptoms of Cyanuric Fluoride Exposure: Signs and symptoms of acute exposure to cyanuric fluoride may include irritation or burns of the mucous membranes, lungs, gastrointestinal tract, eyes, and skin. Exposure to cyanuric fluoride may result in pulmonary edema.

Nonfire Spill ResponseAvoid inhalation and skin contact. (EPA, 1998)
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 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Protective Action Criteria (PAC) · 3 件

0.0021 [ppm]

0.023 [ppm]

0.14 [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)

毒性情報

Adverse EffectsToxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.
Environmental Abiotic DegradationCyanuric fluoride is readily hydrolyzed to 2,4,6-trihydroxy-1,3,5-triazine. Cyanuric fluoride reacts faster with nucleophilic agents such as ammonia and amines than cyanuric chloride
Antidote and Emergency Treatment · 2 件

Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). 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. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water if the patient can swallow, has a strong gag reflex, and does not drool. Do not attempt to neutralize because of exothermic reaction. Cover skin burns with dry, sterile dressings after decontamination ... . /Hydrofluoric Acid (HF) and Related Compounds/

Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Consider drug therapy for pulmonary edema ... . Early intubation at the first sign of upper airway obstruction may be necessary. Positive-pressure ventilation with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Monitor cardiac rhythm and treat arrhythmias as necessary. Development of QT interval prolongation may signal hypocalcemia and need for IV calcium gluconate administration ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Use 2.5% calcium gluconate gel for skin burns over painful areas after thorough decontamination ... . Iced 0.13% benzalkonium chloride (Zephiran chloride) solution soak or compresses may be used with careful monitoring of body temperature. Compresses should be changed every 2 min. Use proparacaine hydrochloride to assist eye irrigation ... . /Hydrofluoric Acid (HF) and Related Compounds/

Toxicity DataLC50 (rat) = 3.1 ppm/4H

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. Cyanuric fluoride is an extremely hazardous substance (EHS) subject to reporting requirements when stored in amounts in excess of its threshold planning quantity (TPQ) of 100 lbs.

安全データ

F
10
wgk
3
tsca
TSCA listed
rtecs
XZ1750000
ridadr
UN 3389 6.1/PG 1
risk_code
24-26-35
化審法
新規公示化学物質(2011年3月31日以前届出)
hazard_code
T+,C,T
hazard_note
Corrosive/Toxic
safety_code
26-28-36/37/39-45
hazard_class
6.1
packing_group
I
有毒物質データの
675-14-9(Hazardous Substances Data)

上流・下流製品情報

上流原料

Hydrogen fluoride gasポリエチレンシアヌル酸クロリド

下流製品

2-[[6-[[4-フルオロ-6-(フェニルアミノ)-1,3,5-トリアジン-2-イル]アミノ]-1-ヒドロキシ-3-スルホ-2-ナフタレニル]アゾ]-5-メトキシ-1,4-ベンゼンジスルホン酸/ナトリウム,(1:x)Reactive Blue 942,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-5-4-fluoro-6-(1-sulfo-2-naphthalenyl)amino-1,3,5-triazin-2-ylamino-2-sulfophenylazo-4-hydroxy-, tetrasodium saltReactive orange 91N,N,N',N'-テトラエチル-6-フルオロ-1,3,5-トリアジン-2,4-ジアミン