Grundinformationen
- Standard-SMILES
CCCCCC(N)=O- InChIKey
ALBYIUDWACNRRB-UHFFFAOYSA-N- Summenformel
- C6H13NO
- Durchschnittliche Molmasse
- 115,17 g/mol
- Monoisotopische Masse
- 115,09971404
Überblick
Hexanamide appears as colorless crystals. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- Hexanamide
- IUPAC
- hexanamide
- Lokaler Name
- Hexansäureamid
- Englischer Name
- HEXANAMIDE
- Summenformel
- C6H13NO
- Molmasse
- 115.17
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
628-02-4- PubChem CID
- 12332
- DTXSID
DTXSID6020696- ChEMBL
CHEMBL1523958- ChEBI
CHEBI:142683- UNII
- R0YX4OJ6TW
- EC Number
- 211-024-8
- Nikkaji
- J6.874H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 43,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 70,9
Experimentelle und physikochemische Eigenschaften
Chemical Classes
Nitrogen Compounds -> Other Nitrogen Compounds
Industrial compound -> amide
Density
0.999 at 68 °F (NTP, 1992) - Less dense than water; will float
0.999 @ 20 °C/4 °C
Solubility
0.1 to 1 mg/mL at 59 °F (NTP, 1992)
Soluble in alcohol, ether, benzene, chloroform
SLIGHTLY SOL IN WATER
Boiling Point
491 °F at 760 mmHg (NTP, 1992)
255 °C @ 760 mm Hg
Melting Point
214 °F (NTP, 1992)
101 °C
Physical Description
Hexanamide appears as colorless crystals. (NTP, 1992)
Colorless solid; [CAMEO] White crystalline powder; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 100 · 100-102 °C(lit.)
- Siedepunkt
- 215.49 °C · 215.49°C (rough estimate)
- Dichte
- 0.999 · 0.9990
- Brechungsindex
- 1.42 · 1.4200 (estimate)
- storage temp.
- Store at room temperature
- Aggregatzustand
- Flakes
- pka
- 16.76 · 16.76±0.40(Predicted)
- Farbe
- White to off-white
- Wasserlöslichkeit
- 29.72 g/L · 29.72g/L(25 ºC)
- Henry's Law Constant
- 1.8 · 1.8×103 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- Stabilität
- Stable. Combustible. Incompatible with acids, bases, strong oxidizing agents.
- InChI
- 1S/C6H13NO/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H2,7,8)
- InChIKey
- ALBYIUDWACNRRB-UHFFFAOYSA-N
- SMILES
- CCCCCC(N)=O
- CAS Datenbank
- 628 · 628-02-4(CAS DataBase Reference)
- EPA chemische Informationen
- Hexanamide (628-02-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.
Warning
H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Reactivity Profile
HEXANAMIDE 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). Can react with mineral acids and bases. (NTP, 1992)
Sicherheit und Schutzausrüstung
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.
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.
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
REMOVAL OF ORGANIC CMPDS FROM SEWAGE EFFLUENT BY GRANULAR ACTIVATED CARBON FILTRATION.
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)
Toxikologische Informationen
Ongoing Test Status
The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=628-02-4]
Antidote and Emergency Treatment
Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist respirations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Activated charcoal is not effective ... . Do not attempt to neutralize because of exothermic reaction. Cover skin burns with dry, sterile dressings after decontamination ... . /Organic acids and related compounds/
Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in respiratory arrest. Early intubation, at the first sign of upper airway obstruction, may be necessary. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Organic acids and related compounds/
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29241990
- RTECS-Nr.
- MN7875000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Speicherklasse
- 11 - Combustible Solids
- Giftige Stoffe Daten
- 628-02-4(Hazardous Substances Data)
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
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