结构:Cc1ccccc1F
HCID7241

2-Fluorotoluene

1-fluoro-2-methylbenzene

C7H7F110.13 g/molCAS 95-52-3

IDENTITY

结构与身份

标准 SMILES
Cc1ccccc1F
InChIKey
MMZYCBHLNZVROM-UHFFFAOYSA-N
分子式
C7H7F
平均分子量
110.13 g/mol
单同位素质量
110.05317839

COMPUTED

结构计算性质

已同步
XLogP
2.9
极性表面积
0 Ų
氢键供体
0
氢键受体
1
可旋转键
0
重原子
8
形式电荷
0
复杂度
70

PROPERTIES

实验与物化性质

来源:PubChem
Density

1.0041 at 55.4 °F (USCG, 1999) - Denser than water; will sink

Flash Point

55 °F (USCG, 1999)

Boiling Point

237.2 °F at 760 mmHg (USCG, 1999)

Melting Point

-79.6 °F (USCG, 1999)

Vapor Pressure

47.05 mmHg (USCG, 1999)

Physical Description

2-fluorotoluene appears as a colorless liquid with an aromatic odor. May sink or float on water. (USCG, 1999)

Kovats Retention Index

763.7;767;767;777

785;777.4;757;783

GHS

GHS 分类

来源:PubChem
GHS Classification

Danger

H225 (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 exposure; Respiratory 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.

HAZARDS

危害信息

来源:PubChem
Regulatory Information

Status: Active Update: 20-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21591;Status: Cease Manufacture Update: 16-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6214

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

DOT Label

Flammable Liquid

Fire Hazards

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)

Health Hazards

Inhalation of vapor may cause respiratory irritation. Prolonged and repeated vapor exposures may produce systemic toxic effects. (USCG, 1999)

Reactive Group

Aryl Halides

Reactivity Alerts

Highly Flammable

Reactivity Profile

2-FLUOROTOLUENE is of generally low reactivity. Reacts with strong oxidizing agents and strong reducing agents. Also may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides (USCG, 1999).

Air and Water Reactions

Highly flammable. Insoluble in water.

Hazard Classes and Categories

Flam. Liq. 2 (100%);Acute Tox. 3 (28.2%);Skin Irrit. 2 (49%);Eye Irrit. 2 (49%);Acute Tox. 4 (22.1%);STOT SE 3 (94%)

Lower Explosive Limit (LEL)

1.3 % (USCG, 1999)

SAFETY

安全与防护

来源:PubChem
Fire Fighting

Fire Extinguishing Agents: Dry chemical, CO2, or foam (USCG, 1999)

First Aid

INHALATION: Move to fresh air. If breathing has stopped, give artificial respiration. If breathing is difficult, give oxygen.;EYES OR SKIN: Flush with running water for at least 15 min.; hold eyelids open if necessary. Remove and isolate contaminated clothing and shoes at the site.;INGESTION: DO NOT INDUCE VOMITING. If victim is unconscious or having convulsions, do nothing except keep victim warm. (USCG, 1999)

Nonfire Spill Response

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

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)

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

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Status: Active Update: 20-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21591;Status: Cease Manufacture Update: 16-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6214

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

USES

用途与制造

来源:PubChem
General Manufacturing Information

Benzene, 1-fluoro-2-methyl-: ACTIVE

ALIASES

名称与别名

53
2-Fluorotoluene95-52-31-Fluoro-2-methylbenzeneO-FLUOROTOLUENEToluene, o-fluoro-1-Methyl-2-fluorobenzeneL55XKB3K7HNSC-8859DTXSID7021811RefChem:87191DTXCID401811202-428-5Benzene, 1-fluoro-2-methyl-1-Fluoro-2-methyl-benzeneortho-FluorotolueneMFCD00000322FLUOROTOLUENECHEMBL352215NSC 8859EINECS 202-428-5

REACTIONS

参与反应

25
HRID140719

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物
HRID 140719 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID177091

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物
HRID 177091 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID208549

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物
HRID 208549 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID299708

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物
HRID 299708 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

查看条件与参与物