4-フルオロトルエン

p-Fluorotoluene

HCID 9603CAS 2194-09-4

基本情報

標準SMILES
Cc1ccc(F)cc1
InChIKey
WRWPPGUCZBJXKX-UHFFFAOYSA-N
分子式
C7H7F
平均分子量
110.13 g/mol
単同位体質量
110.05317839

名称と識別子

優先名称
p-Fluorotoluene
IUPAC
1-fluoro-4-methylbenzene
現地名
4-フルオロトルエン
英語名
p-Fluorotoluene
分子式
C7H7F
分子量
110.13

名称と別名

4-FluorotolueneP-FLUOROTOLUENE352-32-91-Fluoro-4-methylbenzeneBenzene, 1-fluoro-4-methyl-p-FluoromethylbenzeneToluene, p-fluoro-1-Methyl-4-fluorobenzenep-Fluoromethyl benzenep-tolyl fluorideNSC 8861NUD6WZ1B8F
名称をさらに表示
4-フルオロトルエン1-メチル-4-フルオロベンゼン1-フルオロ-4-メチルベンゼン4-フルオロ-1-メチルベンゼンp-フルオロトルエン4-メチルフェニルフルオリド4フルオロトルエンP‐フルオロトルエンp-FluortoluolFluorotoluene3p-Tolylfluoridep-fluoro-toluentoluene,p-fluoro-4-Fluorotoluene98%
EINECS 206-520-6BRN 1362373AI3-28561NSC-8861FLUOROTOLUENE, P-P-FLUOROTOLUENE [MI]DTXSID70598524-05-00-00800 (Beilstein Handbook Reference)

データベース識別子

CAS
2194-09-4、352-32-9
PubChem CID
9603
DTXSID
DTXSID7059852
ChEMBL
CHEMBL346605
UNII
NUD6WZ1B8F
EC Number
206-520-6
Nikkaji
J43.544I

物性

構造計算による物性

XLogP
2.8
極性表面積
0 Ų
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

実験および物理化学的性質

Density1.0007 at 68 °F (USCG, 1999) - Denser than water; will sink
Flash Point105 °F (USCG, 1999)
Boiling Point241.9 °F at 760 mmHg (USCG, 1999)
Melting Point-70.2 °F (USCG, 1999)
Vapor Pressure39.81 mmHg (USCG, 1999)
Physical Description4-fluorotoluene appears as a colorless liquid with an aromatic odor. May float or sink in water. (USCG, 1999)

物理化学的性質

融点
-56 °C · -56 °C (lit.)
沸点
116 °C · 116 °C (lit.)
比重(密度)
1 g/mL · 1 g/mL at 25 °C (lit.)
屈折率
20 · n20/D 1.468(lit.)
闪点
63 °F · 63 °F
貯蔵温度
Flammables area

化学的性質

化学的特性clear colorless to slightly yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids];H302 (20.9%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (20.9%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (77.5%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (77.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (40.6%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (58.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 187 reports by companies from 8 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.

危険有害性情報

Regulatory Information · 2 件

Chemical: Benzene, 1-fluoro-4-methyl-

4-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: Toxic fumes of fluoride (USCG, 1999)
Health HazardsINHALATION: Irritation of respiratory system. EYES AND SKIN: Severe irritation. INGESTION: Severe internal damage if swallowed. (USCG, 1999)
Reactive GroupAryl Halides
Reactivity AlertsHighly Flammable

安全と保護具

Fire FightingFire Extinguishing Agents: Alcohol foam; CO2; Dry chemical (USCG, 1999)
First Aid · 1 件

Get medical aid.;INHALATION: Move to fresh air. Remove contaminated clothing. Keep warm and quiet. If breathing has stopped give artificial respiration.;EYES AND SKIN: Wash with plenty of water.;INGESTION: Give one or two glasses of water or milk. Induce vomiting. Give cathartics. (USCG, 1999)

Nonfire Spill Response · 1 件

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:;ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material.;LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2024)

Isolation and Evacuation · 1 件

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area for at least 50 meters (150 feet) in all directions.;LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet).;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Personal Protective Equipment (PPE)Respirator with proper filter, goggles (USCG, 1999)

法規制情報

Regulatory Information · 2 件

Chemical: Benzene, 1-fluoro-4-methyl-

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

安全データ

wgk
3
tsca
TSCA listed
rtecs
XT2580000
ridadr
UN 2388 3/PG 2
hs_code
29036990
risk_code
11-20/21/22-36/37/38

化学と産業

用途と製造

General Manufacturing InformationBenzene, 1-fluoro-4-methyl-: ACTIVE

応用分野

一般的な説明A colorless liquid with an aromatic odor. 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 677, 5 IV 799.]

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]
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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

関連反応

22 件

関連ノート

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