基本情報
- 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
名称をさらに表示
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
Density
1.60 at 25 °C/4 °C
1.60 @25 °C
Boiling Point
72.8 °C
72.4 °C @760 [mm Hg]
Melting Point
-38 °C
-38 °C
Physical Description
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
- 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.
安全と法規制
GHS分類
GHS Classification
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
Hazards Summary
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]
CERCLA Reportable Quantities
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.
安全と保護具
First Aid
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.
Disposal Methods
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.
Protective Action Criteria (PAC)
0.0021 [ppm]
0.023 [ppm]
0.14 [ppm]
Personal Protective Equipment (PPE)
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
Antidote and Emergency Treatment
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/
法規制情報
CERCLA Reportable Quantities
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)
化学と産業
用途と製造
Uses
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
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
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
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
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.
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