Grundinformationen
- Standard-SMILES
CCCCON=O- InChIKey
JQJPBYFTQAANLE-UHFFFAOYSA-N- Summenformel
- C4H9NO2
- Durchschnittliche Molmasse
- 103,12 g/mol
- Monoisotopische Masse
- 103,06332853
Überblick
Butyl nitrite appears as a yellow oily liquid with a pleasant odor. A mixture of isomers (n-butyl, sec-butyl and tert-butyl). Slightly soluble in water. Slightly less dense than water. Vapors are much heavier than air. Toxic by ingestion, mildly toxic by inhalation. Used to make fuel for jet airplanes.
Namen und Bezeichner
- Bevorzugter Name
- Butyl nitrite
- IUPAC
- butyl nitrite
- Lokaler Name
- Butylnitrit
- Englischer Name
- 1-Butyl nitrite
- Summenformel
- C4H9NO2
- Molmasse
- 103.12
Namen und Synonyme
Butyl nitrite544-16-1N-BUTYL NITRITENitrous acid, butyl ester44P8QG0F3TNSC-8426RefChem:829371208-862-11-Butyl nitriteNitrous Acid Butyl EsterNitrous acid, n-butyl esterN-Butylnitrite
Weitere Namen anzeigen
P95AT-V1AT-V2NCL-C-56553N-Butynitrite
ButylnitriteNCI-C56553NSC 8426DTXSID8049418n-C4H9ONOMFCD00002058Butyl ester of nitrous acidNBN
Datenbank-Bezeichner
- CAS
544-16-1- PubChem CID
- 10996
- DTXSID
DTXSID8049418- ChEMBL
CHEMBL3181968- ChEBI
CHEBI:173360- UNII
- 44P8QG0F3T
- EC Number
- 208-862-1
- Nikkaji
- J4.511J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 38,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 47
Experimentelle und physikochemische Eigenschaften
Chemical Classes
Nitrogen Compounds -> Nitrates and Nitrites
Flammable agents - 3rd degree
Vapor Pressure81.3 [mmHg]
Physical Description
Butyl nitrite appears as a yellow oily liquid with a pleasant odor. A mixture of isomers (n-butyl, sec-butyl and tert-butyl). Slightly soluble in water. Slightly less dense than water. Vapors are much heavier than air. Toxic by ingestion, mildly toxic by inhalation. Used to make fuel for jet airplanes.
Oily liquid; [Merck Index]
Physikochemische Eigenschaften
- Siedepunkt
- 78 °C · 78 °C (lit.)
- Dichte
- 0.882 g/mL · 0.882 g/mL at 25 °C (lit.)
- Dampfdruck
- 760 mm · 760 mm Hg ( 78 °C)
- Brechungsindex
- 20 · n20/D 1.376(lit.)
- Flammpunkt
- 8 °F · 8 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- alcohol: miscible(lit.)
- Aggregatzustand
- clear liquid
- Farbe
- Light yellow to Yellow
- Wasserlöslichkeit
- SLIGHTLY SOLUBLE
- Merck
- 14 · 14,1582
- BRN
- 1701036 · 1701036
- Stabilität
- Light Sensitive, Volatile
- InChI
- 1S/C4H9NO2/c1-2-3-4-7-5-6/h2-4H2,1H3
- InChIKey
- NALZTFARIYUCBY-UHFFFAOYSA-N
- SMILES
- CCCCON=O
- LogP
- 2.35 · 2.35
- CAS Datenbank
- 544 · 544-16-1(CAS DataBase Reference)
- NIST chemische Informationen
- n-Butyl nitrite(544-16-1)
- EPA chemische Informationen
- Butyl nitrite (544-16-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P316, P303+P361+P353, P304+P340, P316, P321, P330, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P316, P303+P361+P353, P304+P340, P316, P321, P330, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Status: Active Update: 29-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24419
Butyl nitrite: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Other Safety InformationIMAP assessments - Nitrous acid, butyl ester: Environment tier I assessment
DOT LabelFlammable Liquid
Fire HazardsExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Health HazardsExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Hazards SummaryVasodilator effects similar to amyl nitrate; [Merck Index] An irritant; May cause lacrimation; Can induce methemoglobinemia; [MSDSonline]
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity AlertsHighly Flammable
Reactivity Profile
BUTYL NITRITE is an oxidizing agent but can serve as a reducing agent. May begin a vigorous reaction that culminates in a detonation if mixed with reducing agents, including hydrides, sulfides, nitrides, ammonium salts, cyanides, and many fuels.
Air and Water ReactionsHighly flammable. Slightly soluble in water.
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flammable liquid - category 2
Flammable liquids - Category 2
Flammable agents - 3rd degree, Reactive agents - 3rd degree
Flam. Liq. 2
Sicherheit und Schutzausrüstung
Fire FightingExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
First AidExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Isolation and EvacuationExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Toxikologische Informationen
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Toxicity DataLC50 (rat) = 420 ppm/4h
Sicherheitsdaten
- F
- 8-10-23
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 2351 3/PG II/III (BUTYL NITRITES)
- hs_code
- 29209090
- RTECS-Nr.
- RA0780000
- risk_code
- 11-23/25
- Toxizität
- LD50 orally in Rabbit: 83 mg/kg
- hazard_code
- F,T
- safety_code
- 16-24-45
- hazard_class
- 3.1
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 2 InhalationAcute Tox. 3 OralFlam. Liq. 2
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationDrugs used to cause dilation of the blood vessels.
Cellular LocationsCytoplasm
Verwendung und Herstellung
UsesUsed to make rare earth azides; [Merck Index]
General Manufacturing InformationNitrous acid, butyl ester: ACTIVE
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