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2-ニトロベンズアミド

2-Nitrobenzamide

HCID 11876
ノート反応

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基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
610-15-1
標準SMILES
NC(=O)c1ccccc1[N+](=O)[O-]
InChIKey
KLGQWSOYKYFBTR-UHFFFAOYSA-N
分子式
C7H6N2O3
平均分子量
166.13 g/mol
単同位体質量
166.03784206

名称と識別子

優先名称
2-Nitrobenzamide
IUPAC
2-nitrobenzamide
現地名
2-ニトロベンズアミド
英語名
2-Nitrobenzamide
分子式
C7H6N2O3
分子量
166.13

名称と別名

2-Nitrobenzamide610-15-1O-NITROBENZAMIDEDTXSID0025733DTXCID005733oNitrobenzamideBenzamide, onitroBenzamide, 2nitro2CarbamoylnitrobenzeneRefChem:477186Benzamide, 2nitro (9CI)210-208-5
名称をさらに表示
2-ニトロベンズアミド2-ニトロベンゼンカルボアミドo-ニトロベンズアミドNSC 4079952-nitro-benzamido-nitro-benzamidBenzmide, 2-nitro-Benzamide,2-nitro-TIMTEC-BB SBB0082392-Nitrobenzamide>
Benzamide, o-nitro-Benzamide, 2-nitro-2-CarbamoylnitrobenzeneMFCD00007976nitrobenzamide2-nitro-benzamidenitro-benzamideNSC407995

データベース識別子

CAS
610-15-1
PubChem CID
11876
DTXSID
DTXSID0025733
ChEMBL
CHEMBL1876019
EC Number
210-208-5
Nikkaji
J54.489B

物性

構造計算による物性補完中

XLogP
-0.1
極性表面積
88.9 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
1
重原子数
12
形式電荷
0
複雑度
199

実験および物理化学的性質

Solubilityless than 0.1 mg/mL at 64 °F (NTP, 1992)
Boiling Point603 °F at 760 mmHg (NTP, 1992)
Melting Point349.9 °F (NTP, 1992)
Vapor Pressure0.00000809 [mmHg]
Physical Description · 2 件

O-nitrobenzamide is a water solubility - <0.1 mg/mL at 64 °F. (NTP, 1992)

Partially soluble in water (1.62 g/L at 25 deg C); [ChemIDplus] Tan crystalline powder; Soluble in water; [MSDSonline]

物理化学的性質

融点
174 · 174-178 °C (lit.)
沸点
317 °C · 317 °C (lit.)
比重(密度)
1.384 · 1.384
屈折率
1.588 · 1.5880 (estimate)
闪点
317 °C · 317°C
貯蔵温度
Sealed in dry,Room Temperature
外見
powder to crystal
酸解離定数(Pka)
15.09 · 15.09±0.50(Predicted)
色
White to Orange to Green

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 5 reports by companies from 2 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

Fire HazardsFlash point data for this chemical are not available, however it is probably combustible. (NTP, 1992)
Hazards SummaryAn irritant; [MSDSonline]
Reactive GroupAmides and Imides;Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile · 1 件

A nitrated amide. Organic 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).

化学と産業

応用分野 · 2 件

使用2-Nitrobenzamide was used in the synthesis of novel fluorogenic chemosensors based on urea derivative of 2-(2′-aminophenyl)-4-phenylthiazole. It was also used in the synthesis of quinazoline-2,4(1H,3H)-diones, an important class of pharmaceutical intermediates.

一般的な説明Water solubility - <0.1 mg/mL at 64°F.

上流・下流製品情報

下流製品

2-ニトロ安息香酸 メチル2-エトキシベンズアミド2-[(クロロアセチル)アミノ]ベンズアミド3-Butyl-2-mercapto-3H-quinazolin-4-one

サプライヤー54 社

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]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.

関連反応

19 件
反応記録を作成
HRID 198674 の反応式
HRID 198674反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 272586 の反応式
HRID 272586反応物としてuspto-grants-2008_11
HRID 324514 の反応式
HRID 324514反応物としてuspto-grants-2001_04
HRID 599823 の反応式
HRID 599823反応物としてuspto-grants-2011_03
HRID 619278 の反応式
HRID 619278生成物としてuspto-grants-1999_09
HRID 692987 の反応式
HRID 692987反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 704319 の反応式
HRID 704319反応物としてuspto-grants-1991_01
HRID 1046777 の反応式
HRID 1046777反応物としてuspto-grants-2013_10
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化合物ノート

読み込み中…

このページの内容基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
BRN
1950928 · 1950928
InChI
1S/C7H6N2O3/c8-7(10)5-3-1-2-4-6(5)9(11)12/h1-4H,(H2,8,10)
InChIKey
KLGQWSOYKYFBTR-UHFFFAOYSA-N
SMILES
NC(=O)c1ccccc1[N+]([O-])=O
CAS データベース
610 · 610-15-1(CAS DataBase Reference)
EPAの化学物質情報
o-Nitrobenzamide (610-15-1)

化学的性質

化学的特性beige crystalline powder

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%);Acute Tox. 4 (20%);Acute Tox. 4 (20%)

安全と保護具

Fire FightingFires involving this compound can be extinguished using a dry chemical, carbon dioxide or Halon extinguisher. (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.;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 · 1 件

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with methanol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with methanol to pick up any remaining material. Your contaminated clothing and the absorbent paper should be sealed in a vapor tight plastic bag for eventual disposal. Solvent-wash contaminated surfaces with methanol followed by washing with a strong soap and water solution. Do not reenter the contaminated 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) · 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
3
rtecs
CV5600000
hs_code
29242998
safety_code
24/25
ストレージクラス
11 - Combustible Solids
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