基本情報
- 標準SMILES
Oc1ccccc1F- InChIKey
HFHFGHLXUCOHLN-UHFFFAOYSA-N- 分子式
- C6H5FO
- 平均分子量
- 112.1 g/mol
- 単同位体質量
- 112.032443
概要
2-fluorophenol appears as liquid or crystalline solid melting at 14-16 °C. Corrosive. Density 1.246 g / cm3.
名称と識別子
- 優先名称
- 2-Fluorophenol
- IUPAC
- 2-fluorophenol
- 現地名
- 2-フルオロフェノール
- 英語名
- 2-Fluorophenol
- 分子式
- C6H5FO
- 分子量
- 112.1
名称と別名
名称をさらに表示
データベース識別子
- CAS
367-12-4- PubChem CID
- 9707
- DTXSID
DTXSID0047745- ChEMBL
CHEMBL224144- UNII
- I9OW1NLY9R
- EC Number
- 206-681-2
- Nikkaji
- J110.443H
物性
構造計算による物性
- XLogP
- 1.7
- 極性表面積
- 20.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 74.9
実験および物理化学的性質
Physical Description
2-fluorophenol appears as liquid or crystalline solid melting at 14-16 °C. Corrosive. Density 1.246 g / cm3.
Liquid or solid; mp = 14-16 deg C; [CAMEO] Colorless liquid; [MSDSonline]
物理化学的性質
- 融点
- 16.1 °C · 16.1 °C (lit.)
- 沸点
- 171 · 171-172 °C/741 mmHg (lit.)
- 比重(密度)
- 1.256 g/mL · 1.256 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.511(lit.)
- 闪点
- 116 °F · 116 °F
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 溶解性
- 37.7 g/リットル · 37.7g/リットル
- 外見
- 液体
- 酸解離定数(Pka)
- 8.73 · 8.73(at 25℃)
- 比重
- 1.256 · 1.256
- 色
- 無色透明~淡黄褐色
- 水溶解度
- 80.72 g/L · 80.72g/L(25℃)
- BRN
- 1905112 · 1905112
- Henry's Law Constant
- 3.1 · 3.1×100 mol/(m3Pa) at 25℃, Abraham et al. (1994)
- 安定性
- 安定。可燃性。強力な酸化剤とは相容れない。
- InChI
- 1S/C6H5FO/c7-5-3-1-2-4-6(5)8/h1-4,8H
- InChIKey
- HFHFGHLXUCOHLN-UHFFFAOYSA-N
- SMILES
- Oc1ccccc1F
- CAS データベース
- 367 · 367-12-4(CAS DataBase Reference)
- NISTの化学物質情報
- 2 · Phenol, 2-fluoro-(367-12-4)
- EPAの化学物質情報
- o-Fluorophenol (367-12-4)
化学的性質
化学的特性Clear colourless to yellow liquid
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 3.3% (1 of 30) of reports.
Danger
H226 (96.7%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 30 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Phenol, 2-fluoro-
2-Fluorophenol: Does not have an individual approval but may be used under an appropriate group standard
Reactivity Profile
2-FLUOROPHENOL reacts as a weak organic acid. May be incompatible with strong reducing substances such as hydrides, nitrides, alkali metals, and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat is also generated by the acid-base reaction with bases. Such heating may initiate polymerization of the organic compound. Sulfonated very readily (for example, by concentrated sulfuric acid at room temperature). The reactions generate heat. Nitrated very rapidly, even by dilute nitric acid.
安全と保護具
Fire Fighting
This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
毒性情報
EPA Provisional Peer-Reviewed Toxicity Values
2-Fluorophenol
PDF Document
2004
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SL4530000
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29081000
- risk_code
- 20/21/22-36/37/38-10-63-43-23/24/25-45-40
- 消防法
- 危-4-2-III
- hazard_code
- Xn,F,C,Xi,T
- hazard_note
- Flammable/Corrosive
- safety_code
- 28-36/37-36/37/39-26-16-24/25-23-53-36
- hazard_class
- 3
- packing_group
- III
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2
- ストレージクラス
- 3 - Flammable liquids
化学と産業
用途と製造
応用分野
一般的な説明Liquid or crystalline solid melting at 14-16°C. Corrosive. Density 1.246 g / cm3.
調製方法
純化方法Pass o-fluorophenol at least twice through a gas chromatographic column for small quantities; otherwise fractionally distil it under reduced pressure. [Beilstein 6 I 97, 6 IV 770.]
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