m-Fluorotoluene (HCID 9606)

概要

3-fluorotoluene appears as a colorless liquid with an aromatic odor. Boiling point 239 °C. Flash point 63 °F. Density 0.991 g / cm3 --- may float or sink in water. (USCG, 1999)

名称と識別子

優先名称: m-Fluorotoluene
IUPAC: 1-fluoro-3-methylbenzene
現地名: 3-フルオロトルエン
英語名: 3-Fluorotoluene
分子式: C7H7F
分子量: 110.13

名称と別名

3-Fluorotoluene352-70-51-Fluoro-3-methylbenzeneM-FLUOROTOLUENEBenzene, 1-fluoro-3-methyl-Toluene, m-fluoro-1-Methyl-3-fluorobenzeneF72W445DQ0NSC 8860NSC-8860EINECS 206-524-8M-FLUOROTOLUENE [MI]

名称をさらに表示

3-フルオロトルエン1-フルオロ-3-メチルベンゼンm-フルオロトルエン3-フルオロ-1-メチルベンゼン1-メチル-3-フルオロベンゼンmフルオロトルエン3-メチルフェニルフルオリド3-FLUOROBENZENE3-FluortoluolJACS-352-70-5Fluorotoluene2m-Fluro Toluenetoluene,3-fluoro-Toluene,m-fluoro-

DTXSID2059855EC 206-524-83fluorotoluenemTolyl fluorideToluene, mfluoro1Fluoro3methylbenzene1Methyl3fluorobenzeneM-TOLYL FLUORIDE

データベース識別子

CAS: 2599-73-7、352-70-5
PubChem CID: 9606
DTXSID: DTXSID2059855
ChEMBL: CHEMBL345698
UNII: F72W445DQ0
EC Number: 206-524-8
Nikkaji: J61.495E

物性

構造計算による物性

XLogP: 2.7
極性表面積: 0 Å²
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: 70.8

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Density0.9986 at 68 °F (USCG, 1999) - Less dense than water; will float

Flash Point49 °F (USCG, 1999)

Boiling Point240.8 °F at 760 mmHg (USCG, 1999)

Melting Point-125.9 °F (USCG, 1999)

物理化学的性質

融点: -87 °C · -87 °C
沸点: 115 °C · 115 °C(lit.)
比重(密度): 0.991 g/mL · 0.991 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.469(lit.)
闪点: 49 °F · 49 °F
貯蔵温度: 30 °C · Store below +30°C.
外見: clear liquid
色: Colorless to Almost colorless
比重: 0.991 · 0.991
水溶解度: 混和しない
Merck: 14 · 14,4180
BRN: 1903631 · 1903631
Dielectric constant: 5.42 · 5.4199999999999999
InChI: 1S/C7H7F/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChIKey: BTQZKHUEUDPRST-UHFFFAOYSA-N
SMILES: Cc1cccc(F)c1
LogP: 2.75 · 2.75
CAS データベース: 352 · 352-70-5(CAS DataBase Reference)
NISTの化学物質情報: 1 · Benzene, 1-fluoro-3-methyl-(352-70-5)
EPAの化学物質情報: m-Fluorotoluene (352-70-5)

化学的性質

化学的特性clear colorless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 44% (37 of 84) of reports.

Danger

H225 (56%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 84 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Status: Cease Manufacture Update: 22-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6237

3-Fluorotoluene: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelFlammable Liquid

Fire HazardsSpecial Hazards of Combustion Products: May contain toxic fluoride fumes.

Health HazardsInhalation causes upper respiratory irritation. Irritating to skin and eyes. May be absorbed through the skin. Prolonged exposure may result in systemic toxic effects. Harmful if swallowed. (USCG, 1999)

Hazards Summary · 1 件

An irritant; May cause smarting and reddening of skin if spilled and allowed to remain on clothes; Can be absorbed through skin; Harmful by ingestion; [CHRIS] A mild skin and eye irritant; Causes respiratory tract irritation; [Alfa Aesar MSDS] See m-Chlorotoluene and 4-Chlorotoluene.

Reactive GroupAryl Halides

安全と保護具

Fire FightingFire Extinguishing Agents: Small fires: dry chemical, CO2, water spray or foam; large fires: water spray, fog or foam. (USCG, 1999)

First AidINHALATION: Move to fresh air. If not breathing, give artificial respiration. if breathing is difficult, give oxygen.

Nonfire Spill ResponseExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

Isolation and EvacuationExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

Personal Protective Equipment (PPE)Wear self-contained positive pressure breathing apparatus and full protective clothing. (USCG, 1999)

安全データ

wgk: 2
tsca: TSCA listed
rtecs: XT2578000
ridadr: UN 2388 3/PG 2
hs_code: 29036990
risk_code: 11-36/37/38
化審法: (3)-83
消防法: 危-4-1-II
hazard_code: F,Xi
hazard_note: Flammable/Irritant
safety_code: 16-26-36-37/39
hazard_class: 3
packing_group: II
Hazard Classifications: Flam. Liq. 2
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing InformationBenzene, 1-fluoro-3-methyl-: ACTIVE

応用分野

使用3-Fluorotoluene was used in gas phase selective synthesis of 3-fluorobenzaldehyde. It was used in generation of tolyl cations by chemical ionization in mass spectrometry.

一般的な説明A colorless liquid with an aromatic odor. Boiling point 239°C. Flash point 63°F. Density 0.991 g / cm3---may float or sink in water.

調製方法

純化方法Purify it as for o-fluorotoluene. [Beilstein 5 H 290, 5 III 676, 5 IV 799.]

上流・下流製品情報

上流原料

下流製品

3-フルオロベンゾイルクロリド 4-フルオロ-2-メチル安息香酸 3-フルオロベンジルシアニド 2-フルオロ-4-メチルアニリン 4-フルオロ-o-トルイジン 2-フルオロトルエン 5-フルオロ-2-ニトロ安息香酸 1-フルオロ-3-(トリクロロメチル)ベンゼン 4-フルオロ-2-メチル-5-ニトロ安息香酸 3-フルオロフェニルアセトン 3-フルオロ-4-ヨード安息香酸 3-フルオロベンジルアルコール

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Changzhou Carman Chemical Co., Ltd.15061933924

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

3-フルオロトルエン

基本情報

概要