N-メチルベンゼンカルボアミド

N-Methylbenzamide

HCID 11954CAS 613-93-4

基本情報

標準SMILES
CNC(=O)c1ccccc1
InChIKey
NCCHARWOCKOHIH-UHFFFAOYSA-N
分子式
C8H9NO
平均分子量
135.16 g/mol
単同位体質量
135.06841391

概要

N-methylbenzamide is an off-white crystalline solid. (NTP, 1992)

名称と識別子

優先名称
N-Methylbenzamide
IUPAC
N-methylbenzamide
現地名
N-メチルベンゼンカルボアミド
英語名
N-Methylbenzamide
分子式
C8H9NO
分子量
135.16

名称と別名

N-METHYLBENZAMIDE613-93-4Benzamide, N-methyl-N-MethylbenzenamideN-MethylbenzenecarboxamideDTXSID5025570K3ED781E08NSC-42944DTXCID605570RefChem:163800210-362-3N-Methyl-benzamide
名称をさらに表示
N-メチルベンズアミドN-メチルベンゼンカルボアミドN‐メチルベンズアミドN-メチルベンズアミド, 99%1MVRn-methyl-benzamidN-Methylbenzamide, 95%N-METHYLBENZAMIDE, 99+%N-MethylbenzaMide, 99+% 10GR
MFCD00011642CCRIS 4670EINECS 210-362-3NSC 42944BRN 1209880UNII-K3ED781E08AI3-01069N-methyl benzamide

データベース識別子

CAS
613-93-4
PubChem CID
11954
DTXSID
DTXSID5025570
ChEMBL
CHEMBL275261
UNII
K3ED781E08
EC Number
210-362-3
Nikkaji
J47.669B

物性

構造計算による物性

XLogP
0.9
極性表面積
29.1 Ų
水素結合供与体数
1
水素結合受容体数
1
回転可能結合数
1
重原子数
10

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP1.05
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Boiling Point556 °F at 760 mmHg (NTP, 1992)
Melting Point180 °F (NTP, 1992)

物理化学的性質

融点
76 · 76-78 °C (lit.)
沸点
167 °C/11 · 167 °C/11 mmHg (lit.)
比重(密度)
1.1031 · 1.1031 (rough estimate)
屈折率
1.5589 · 1.5589 (estimate)
貯蔵温度
Sealed in dry,Room Temperature
溶解性
50 mg/mL、透明、黄緑色 · エタノール:可溶50mg/mL、透明、黄緑色

化学的性質

化学的特性N-methylbenzamide is an off-white crystalline solid.

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.

Warning

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 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

Chemical: Benzamide, N-methyl-

N-methylbenzamide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Fire HazardsFlash point data concerning this compound are not available, however, it is probably combustible. (NTP, 1992)
Hazards SummaryAn irritant; [MSDSonline]
Reactive GroupAmides and Imides
Reactivity Profile · 1 件

N-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 ReactionsInsoluble in water.

安全と保護具

Fire FightingFires involving this material can be controlled with dry chemical, carbon dioxide or Halon extinguishers. (NTP, 1992)
First Aid · 1 件

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.

Nonfire Spill Response · 1 件

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.

Personal Protective Equipment (PPE) · 1 件

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)

安全データ

wgk
1
tsca
TSCA listed
rtecs
CV5570000
hs_code
29242990
risk_code
20/21/22-22
hazard_code
Xn

化学と産業

用途と製造

General Manufacturing InformationBenzamide, N-methyl-: INACTIVE

応用分野

用途有機合成原料。

使用N-Methylbenzamide is an important pesticide intermediate. It acts as a potent PDE10A (phosphodiesterase with a remarkable localization as the protein is abundant only in brain tissue) inhibitor.

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