2-Methylbenzamide 分子结构式
HCID10704

2-Methylbenzamide

C8H9NO135.16 g/molCAS 527-85-5

IDENTITY

结构与身份

标准SMILES
Cc1ccccc1C(N)=O
InChIKey
XXUNIGZDNWWYED-UHFFFAOYSA-N
分子式
C8H9NO
平均分子量
135.16 g/mol
单同位素质量
135.06841391

COMPUTED

结构计算性质

已同步
XLogP
0.8
极性表面积
43.1 Ų
氢键供体
1
氢键受体
1
可旋转键
1
重原子
10
形式电荷
0
复杂度
133

PROPERTIES

实验与物化性质

来源:PubChem
Solubility

less than 1 mg/mL at 72 °F (NTP, 1992)

Melting Point

291 to 297 °F (NTP, 1992)

Vapor Pressure

0.000319 [mmHg]

Physical Description

2-methylbenzamide is a white powder. (NTP, 1992)

Solid; [Merck Index] Off-white powder; [Sigma-Aldrich MSDS]

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.;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
Fire Hazards

Flash point data for this chemical are not available, however it is probably combustible. (NTP, 1992)

Health Hazards

ACUTE/CHRONIC HAZARDS: This compound may react violently if exposed to open flame; it should be isolated from all sources of ignition. (NTP, 1992)

Hazards Summary

Explosive; [Merck Index] May cause irritation; Harmful by ingestion; [Sigma-Aldrich MSDS] See alpha-Phenylacetamide.

Reactive Group

Amides and Imides

Reactivity Profile

2-METHYLBENZAMIDE is an amide. Amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).

Air and Water Reactions

Insoluble in water.

Hazard Classes and Categories

Acute Tox. 4 (100%)

SAFETY

安全与防护

来源:PubChem
Fire Fighting

Fires involving this compound can be extinguished using a dry chemical, carbon dioxide 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.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

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.;STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

Personal Protective Equipment (PPE)

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

USES

用途与制造

来源:PubChem
General Manufacturing Information

Benzamide, 2-methyl-: INACTIVE

ALIASES

名称与别名

共 58 条
2-METHYLBENZAMIDEo-Toluamide527-85-5o-Methylbenzamideo-Toluic amideDTXSID602556913WGF92B0HNSC-2169DTXCID905569RefChem:167313208-427-6Benzamide, 2-methyl-o-Tolylamide2-BroMo-4-fluoro-MFCD00007982toluamide1262396-02-02-methyl-benzamide2-Toluamideortho-toluamide

REACTIONS

参与反应

12
HRID 125617 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID 305564 反应方程式

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

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HRID 479492 反应方程式

uspto-grants-2003_11 · 10.6084/m9.figshare.5104873.v1 · US06645968B2

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HRID 617640 反应方程式

uspto-grants-1999_09 · 10.6084/m9.figshare.5104873.v1 · US05948785

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HRID 673952 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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HRID 825153 反应方程式

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID 1167347 反应方程式

uspto-grants-2003_09 · 10.6084/m9.figshare.5104873.v1 · US06617346B1

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HRID 1203512 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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