2-フルオロトルエン

2-フルオロトルエン · 2-メチル-1-フルオロベンゼン · 1-メチル-2-フルオロベンゼン · 2-フルオロ-1-メチルベンゼン · o-フルオロトルエン · 1-フルオロ-2-メチルベンゼン · 2フルオロトルエン · O‐フルオロトルエン

https://huagongshe.com/ja/chemical/7241

識別子と物理属性

CAS No.	95-52-3
分子式	C7H7F
平均分子量	110.13 g/mol
単同位体質量	110.05317839 g/mol
SMILES	Cc1ccccc1F
InChIKey	MMZYCBHLNZVROM-UHFFFAOYSA-N
PubChem CID	7241
ChEMBL	CHEMBL352215
EC No.	202-428-5
DTXSID	DTXSID7021811
現地名	2-フルオロトルエン

化学・物理的性質

XLogP	2.9
極性表面積	0
水素結合供与体数	0
水素結合受容体数	1
回転可能結合数	0
重原子数	8
形式電荷	0
複雑度	70
密度	1.0041 at 55.4 °F (USCG, 1999) - Denser than waterwill sink1.001 g/mL at 25 °C (lit.)
引火点	55 °F (USCG, 1999)
沸点	237.2 °F at 760 mmHg (USCG, 1999)113-114 °C (lit.)
融点	-79.6 °F (USCG, 1999)-62 °C (lit.)
蒸気圧	47.05 mmHg (USCG, 1999)21 mm Hg ( 20 °C)
Physical Description	2-fluorotoluene appears as a colorless liquid with an aromatic odor. May sink or float on water. (USCG, 1999)
Kovats Retention Index	763.7767777785777.4757783
蒸気密度	3.8 (vs air)
屈折率	n20/D 1.473(lit.)
貯蔵条件	Store below +30°C.
外観・状態	液体
比重	1.001
色	無色透明～微黄色透明
爆発限界	1.3%(V)
溶解度	混和しない
Merck	14,4180
BRN	1853362
誘電率	4.2199999999999998
InChI	1S/C7H7F/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
InChIKey	MMZYCBHLNZVROM-UHFFFAOYSA-N
SMILES	Cc1ccccc1F
LogP（分配係数）	2.73-2.74
CAS データベース	95-52-3(CAS DataBase Reference)
NISTの化学物質情報	Benzene, 1-fluoro-2-methyl-(95-52-3)
EPAの化学物質情報	o-Fluorotoluene (95-52-3)

化学的特性

clear colorless to slightly yellow liquid

安全性と法規制

GHS 分類	DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]H301 (28.2%): Toxic if swallowed [Danger Acute toxicity, oral]H315 (49%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (49%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (22.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (94%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 149 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
規制情報	Status: Active Update: 20-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21591Status: Cease Manufacture Update: 16-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/62142-Fluorotoluene: Does not have an individual approval but may be used under an appropriate group standard
輸送ラベル（DOT）	Flammable Liquid
火災危険	Special Hazards of Combustion Products: May contain toxic fluoride fumes.Behavior in Fire: Container may explode in heat of fire. Vapor may travel to a source of ignition and flashback. Vapor explosion hazard indoors, outdoors or in sewer. Toxic fluoride fumes may be produced. (USCG, 1999)
健康有害性	Inhalation of vapor may cause respiratory irritation. Prolonged and repeated vapor exposures may produce systemic toxic effects. (USCG, 1999)
反応性グループ	Aryl Halides

用途

使用

It is employed in organic synthesis.

一般的な説明

A colorless liquid with an aromatic odor. May sink or float on water.

製法・合成法

純化方法

Dry o-fluorotoluene with P2O5 or CaSO4 and fractionally distil it through a silvered vacuum-jacketed glass column with 1/8th-in glass helices. A high reflux ratio is necessary because of the closeness of the boiling points of the o-, m-and p-isomers [Potter & Saylor J Am Chem Soc 37 90 1951]. [Beilstein 5 H 290, 5 III 676, 5 IV 799.]