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2-Nitrobenzamid

2-Nitrobenzamide

HCID 11876
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GrundinformationenNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
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Grundinformationen

CAS
610-15-1
Standard-SMILES
NC(=O)c1ccccc1[N+](=O)[O-]
InChIKey
KLGQWSOYKYFBTR-UHFFFAOYSA-N
Summenformel
C7H6N2O3
Durchschnittliche Molmasse
166,13 g/mol
Monoisotopische Masse
166,03784206

Namen und Bezeichner

Bevorzugter Name
2-Nitrobenzamide
IUPAC
2-nitrobenzamide
Lokaler Name
2-Nitrobenzamid
Englischer Name
2-Nitrobenzamide
Summenformel
C7H6N2O3
Molmasse
166.13

Namen und Synonyme

2-Nitrobenzamide610-15-1O-NITROBENZAMIDEDTXSID0025733DTXCID005733oNitrobenzamideBenzamide, onitroBenzamide, 2nitro2CarbamoylnitrobenzeneRefChem:477186Benzamide, 2nitro (9CI)210-208-5
Weitere Namen anzeigen
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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-0,1
Polarare Oberfläche (TPSA)
88,9 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
1
Schwere Atome
12
Formalladung
0
Komplexität
199

Experimentelle und physikochemische Eigenschaften

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 Einträge

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]

Physikochemische Eigenschaften

Schmelzpunkt
174 · 174-178 °C (lit.)
Siedepunkt
317 °C · 317 °C (lit.)
Dichte
1.384 · 1.384
Brechungsindex
1.588 · 1.5880 (estimate)
Flammpunkt
317 °C · 317°C
storage temp.
Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

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 Eintrag

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).

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-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.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Methyl-2-nitrobenzoatEthenzamid2-(2-Chloro-acetylamino)-benzamide3-Butyl-2-mercapto-3H-quinazolin-4-one

Anbieter54 Anbieter

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]
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Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]

Zugehörige Reaktionen

19
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 198674
HRID 198674als EduktTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaktionsgleichung von HRID 272586
HRID 272586als Eduktuspto-grants-2008_11
Reaktionsgleichung von HRID 324514
HRID 324514als Eduktuspto-grants-2001_04
Reaktionsgleichung von HRID 599823
HRID 599823als Eduktuspto-grants-2011_03
Reaktionsgleichung von HRID 619278
HRID 619278als Produktuspto-grants-1999_09
Reaktionsgleichung von HRID 692987
HRID 692987als EduktTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaktionsgleichung von HRID 704319
HRID 704319als Eduktuspto-grants-1991_01
Reaktionsgleichung von HRID 1046777
HRID 1046777als Eduktuspto-grants-2013_10
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Notizen zur Verbindung

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Auf dieser SeiteGrundinformationenNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
Aggregatzustand
powder to crystal
pka
15.09 · 15.09±0.50(Predicted)
Farbe
White to Orange to Green
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 Datenbank
610 · 610-15-1(CAS DataBase Reference)
EPA chemische Informationen
o-Nitrobenzamide (610-15-1)
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%);Acute Tox. 4 (20%);Acute Tox. 4 (20%)

Sicherheit und Schutzausrüstung

Fire FightingFires involving this compound can be extinguished using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

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 Eintrag

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 Eintrag

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)

Sicherheitsdaten

wgk
3
hs_code
29242998
RTECS-Nr.
CV5600000
safety_code
24/25
Speicherklasse
11 - Combustible Solids
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
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Aladdin Scientific[email protected]
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