N-Hydroxybenzamid

Benzohydroxamic acid

HCID 10313CAS 32685-16-8

Grundinformationen

Standard-SMILES
O=C(NO)c1ccccc1
InChIKey
VDEUYMSGMPQMIK-UHFFFAOYSA-N
Summenformel
C7H7NO2
Durchschnittliche Molmasse
137,14 g/mol
Monoisotopische Masse
137,04767847

Namen und Bezeichner

Bevorzugter Name
Benzohydroxamic acid
IUPAC
N-hydroxybenzamide
Lokaler Name
N-Hydroxybenzamid
Englischer Name
Benzohydroxamic acid
Summenformel
C7H7NO2
Molmasse
137.14

Namen und Synonyme

N-HydroxybenzamideBENZOHYDROXAMIC ACID495-18-1Benzhydroxamic acidBenzamide, N-hydroxy-Phenylhydroxamic acidBenzoylhydroxamic acidHydroxylamine, N-benzoyl-DTXSID7025421K8YW73872DNSC-147248DTXCID305421
Weitere Namen anzeigen
N-BENZOYLHYDROXYLAMINEBHAMNSC 3136NSC 147248n-hydroxy-benzamidBenzohydroxamsαureBENZOHYROXAMICACID
RefChem:163535207-797-6N-Hydroxy-benzamideBenzohydroxamateBenzohyroxamatebenzenecarbohydroxamic acid122231-61-2MFCD00002109

Datenbank-Bezeichner

CAS
32685-16-8、495-18-1
PubChem CID
10313
DTXSID
DTXSID7025421
ChEMBL
CHEMBL16300
UNII
K8YW73872D
EC Number
207-797-6
Nikkaji
J1.560A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,3
Polarare Oberfläche (TPSA)
49,3 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

LogP0.26
Solubility5 to 10 mg/mL at 74.7 °F (NTP, 1992)
Boiling PointExplodes (NTP, 1992)
Melting Point · 2 Einträge

259 to 266 °F (NTP, 1992)

128

Physical DescriptionRhombic crystals or light beige solid. (NTP, 1992)

Physikochemische Eigenschaften

Schmelzpunkt
126 · 126-130 °C(lit.)
Siedepunkt
251.96 °C · 251.96°C (rough estimate)
Dichte
1.2528 · 1.2528 (rough estimate)
Brechungsindex
1.503 · 1.5030 (estimate)
storage temp.
2 · 2-8°C
Löslichkeit
Soluble in alcohol. Slightly soluble in ether. Insoluble in benzene.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H341 (97%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 33 reports by companies from 3 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

Regulatory Information · 3 Einträge

Chemical: Benzamide, N-hydroxy-

Status: No longer Valid Update: 18-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24948

Benzamide, N-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard

Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes of nitrogen oxides. (NTP, 1992)
Reactive GroupAlcohols and Polyols;Amides and Imides
Reactivity Profile · 1 Eintrag

N-HYDROXYBENZAMIDE 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 ReactionsSlightly soluble in water.

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material can be controlled with 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 water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a 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)

Regulatorische Informationen

Regulatory Information · 3 Einträge

Chemical: Benzamide, N-hydroxy-

Status: No longer Valid Update: 18-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24948

Benzamide, N-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29280090
RTECS-Nr.
DF9650000
risk_code
68-40-20/21/22
Toxizität
LD orl-rat: >500 mg/kg NCNSA6 5,26,53

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzamide, N-hydroxy-: ACTIVE
Anwendungen · 1 Eintrag

VerwendenBenzhydroxamic acid is used as precursor in the synthesis of novel mono-anionic and di-anionic hydroxamato complexes by reacting with BiPh3 and Bi(O(t)Bu)3, which has anti-bacterial activity against helicobacter pylori. It is used in the photometric determination of trace amounts of vanadium in alloy steels by making mixed-ligand vanadium chelates with ammonium thiocyanate. It is also involved in the palladium catalyzed synthesis of benzisoxazolones.

Darstellung · 1 Eintrag

synthetischeTo a rapidly stirred suspension of 19.6 gm (0.35 mole) of powdered anhydrous potassium hydroxide in 120 ml of pyridine, maintained at 0-5°C, is a added a solution of 13.9 gm (0.2 mole) of hydroxylamine hy­drochloride in 100 ml of pyridine. While maintaining the reaction temperature at 0-5°C, 15 gm (0.1 mole) of ethyl benzoate is added. Vigorous stirring is continued at room tempera­ture for 6 hr. Then the solids are filtered off. The solids are washed with cold water to remove inorganic coproducts. The remainder, recrystallized from aqueous ethanol, represents a 94% yield of potassium benzohy­droxamate. This salt is triturated with cold 0.01 TV hydrochloric acid. From this mixture, by the usual procedures, 12.5 gm (91% overall) of benzohydrox­amic acid is isolated, m.p. 131°C (from aqueous alcohol).

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