Propylnitrat

n-PROPYL NITRATE

HCID 12307CAS 627-13-4

Grundinformationen

Standard-SMILES
CCCO[N+](=O)[O-]
InChIKey
JNTOKFNBDFMTIV-UHFFFAOYSA-N
Summenformel
C3H7NO3
Durchschnittliche Molmasse
105,09 g/mol
Monoisotopische Masse
105,04259308

Überblick

N-propyl nitrate appears as a white to straw-colored liquid with an ether-like odor. About the same density as water and insoluble in water. Flash point 70 °F. Vapors heavier than air. Used as a fuel. Shock sensitive. The shock sensitivity is removed by addition of 1-2% of propane, butane, chloroform, ethyl ether, or methyl ether.

Namen und Bezeichner

Bevorzugter Name
n-PROPYL NITRATE
IUPAC
propyl nitrate
Lokaler Name
Propylnitrat
Englischer Name
n-Propyl nitrate
Summenformel
C3H7NO3
Molmasse
105.09

Namen und Synonyme

Propyl nitrateN-PROPYL NITRATE627-13-4Nitric acid, propyl esterMonopropyl nitratenitric acid propyl esterNitrate de propyle normalPropylester kyseliny dusicneUN1865983R6RCP6FDTXSID2060834UN-1865
Weitere Namen anzeigen
npnn-C3H7ONO2n-Propy nitratem-Propyl nitrateNitric acid propyln-Propyl nitrate,97%nitricacidpropylesternitricacid,propylester
Propyl ester of nitric acidRefChem:164153DTXCID8043492210-985-0n-Propyl Nitrate (Stabilized)CHEMBL188554MFCD00044556Propylnitrat

Datenbank-Bezeichner

CAS
627-13-4
PubChem CID
12307
DTXSID
DTXSID2060834
ChEMBL
CHEMBL188554
UNII
983R6RCP6F
EC Number
210-985-0
Nikkaji
J2.093A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,4
Polarare Oberfläche (TPSA)
55,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
2
Schwere Atome
7

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Nitrogen Compounds -> Nitrates and Nitrites

Flammable agents - 3rd degree

SpringerMaterials PropertiesCoriolis coupling
LogPlog Kow = 1.74 /Estimated/
OdorSweet sickly odor
Density · 5 Einträge

1.06 (USCG, 1999) - Denser than water; will sink

1.0538 @ 20 °C/4 °C

Relative density (water = 1): 1.05

1.054 @ 20°C

1.07

Color/FormPale yellow liquid

Physikochemische Eigenschaften

Schmelzpunkt
-99.99 °C · -99.99°C
Siedepunkt
762 · bp762 110°; bp760 84.8°
Dichte
420 · d420 1.0538
Dampfdruck
18 at · 18 at 20 °C (NIOSH, 1997)
Brechungsindex
20 · nD20 1.3979
Löslichkeit
Soluble in ether (Weast, 1986) and many alcohols including methanol, ethanol, propanol, and butanol.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P271, P280, P303+P361+P353, P304+P340, P317, P319, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P303+P361+P353, P304+P317, P308+P316, P321, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Gefahrenhinweise

Regulatory Information · 2 Einträge

n-Propyl nitrate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

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.)

DOT LabelFlammable Liquid
Fire Hazards · 3 Einträge

Special Hazards of Combustion Products: Toxic gases and vapors, such as oxides of nitrogen and carbon monoxide, may be released in a fire. (USCG, 1999)

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Highly flammable. Gives off irritating or toxic fumes (or gases) in a fire. Vapour/air mixtures are explosive. Risk of fire and explosion on contact with combustible substances. Explosive.

Fire Potential...It is... flammable, and poses a dangerous fire and explosion risk.
Health Hazards · 2 Einträge

Exposure can cause anoxia and cyanosis. Other effects are weakness, dizziness, and severe headaches. (USCG, 1999)

CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas.

Hazards Summary · 1 Eintrag

Induces methemoglobinemia in experimental animals at high concentrations; Methemoglobinemia is unlikely in workers because lower concentrations provoke nausea, headache and avoidance of irritating effects; [ACGIH] n-Propyl nitrate is in the ACGIH list of Industrial Chemicals for Which Methemoglobin Formation is the Principal Cause of Toxicity A skin, eye, and respiratory tract irritant; Can induce methemoglobinemia; [ICSC]

Sicherheit und Schutzausrüstung

Fire Fighting · 2 Einträge

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Use water spray, powder, alcohol-resistant foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water. Combat fire from a sheltered position.

First Aid Measures · 4 Einträge

Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.

Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Refer for medical attention .

Accidental Release Measures · 2 Einträge

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 3 Einträge

Excerpt from NIOSH Pocket Guide for n-Propyl nitrate:

General First Aid:

(General first aid procedures)

Safe StorageWell closed. Cool. Fireproof. Separated from strong oxidants, combustible substances and reducing agents.
Firefighting HazardsVapors are heavier than air and may travel to a sources of ignition and flash back. Closed containers may rupture violently when heated.

Toxikologische Informationen

Target OrgansEyes, skin, blood
Environmental Fate · 3 Einträge

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 40(SRC), determined from a measured water solubility of 3,290 mg/L(2) and a regression-derived equation(3), indicates that n-propyl nitrate is expected to have very high mobility in soil(SRC). Volatilization of n-propyl nitrate from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 1.27X10-3 atm-cu m/mole(2). The potential for volatilization of n-propyl nitrate from dry soil surfaces may exist based upon a vapor pressure of 23.5 mm Hg(4). No data were located regarding the biodegradation of n-propyl nitrate(SRC); however, biodegradation data for nitroglycerin suggest that alkyl nitrates may undergo biodegradation under acclimated conditions(5,6).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 40(SRC), determined from a water solubility of 3,290 mg/L(2) and a regression-derived equation(3), indicates that n-propyl nitrate is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 1.27X10-3 atm-cu m/mole(2). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 2 hours and 4 days, respectively(SRC). Although n-propyl nitrate is not expected to undergo hydrolysis readily, it may photolyze under conditions of sunlit surface water based on photolysis half-lives ranging from approximately 8 to 40 days(4). According to a classification scheme(5), an estimated BCF of 5(SRC), from the measured water solubility(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is low(SRC). No data were located regarding the biodegradation of n-propyl nitrate(SRC); however, biodegradation data for nitroglycerin suggest that alkyl nitrates may biodegrade in water under acclimated conditions(6,7).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), n-propyl nitrate, which has a vapor pressure of 23.5 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase n-propyl nitrate is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 22 days(SRC), calculated from its rate constant of 7.3X10-13 cu cm/molecule-sec at 25 °C(3). Based upon its UV cross section, the direct photolysis half-life of n-propyl nitrate has been estimated to range from about 8 to 40 days depending upon the angle and intensity of the sun(4).

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as primary toxic effect.
Exposure Routes · 2 Einträge

The substance can be absorbed into the body by inhalation of its vapour and by ingestion.

inhalation, ingestion, skin and/or eye contact

Signs and Symptoms · 5 Einträge

Blue lips, fingernails and skin. Dizziness. Headache. Nausea. Confusion. Convulsions. Unconsciousness.

Redness.

Redness. Pain.

Abdominal pain. Further see Inhalation.

In Animals: irritation eyes, skin; methemoglobinemia, anoxia, cyanosis; dyspnea (breathing difficulty), lassitude (weakness, exhaustion), dizziness, headache

Soil Adsorption/Mobility · 1 Eintrag

The Koc for n-propyl nitrate can be estimated to be 40(SRC)using a measured water solubility of 3,290 mg/L(1) and a regression-derived equation(2) According to a classification scheme(3), this estimated Koc value suggests that n-propyl nitrate is expected to have very high mobility in soil(SRC).

Sicherheitsdaten

OEB
A
OEL
TWA: 25 ppm (105 mg/m3), STEL: 40 ppm (170 mg/m3)
IDLA
500 ppm
tsca
TSCA listed
ridadr
UN 1865
hazard_class
3

Chemie und Industrie

Pharmakologische Informationen

Mechanism of Action... n-Propyl nitrate exerts a direct action on vascular smooth muscles and that cardiac toxicity and respiratory depression contribute to the hypotension.

Verwendung und Herstellung

Uses · 3 Einträge

Used to promote fuel ignition and to synthesize organic chemicals; [ACGIH]

Has been tested as a fuel ignition promoter and as a liquid rocket monopropellant but is no longer used for these purposes.

...As organic intermediate.

Methods of ManufacturingPrepared by nitration of propanol with nitric acid, usually in the presence of urea and ammonium nitrate or sulfuric acid.
General Manufacturing InformationNitric acid, propyl ester: ACTIVE

Anwendungen

VerwendenFuel ignition promoter, in rocket fuel formulations, as organic intermediate.

Vor- und nachgelagerte Produkte

Anbieter9 Anbieter

艾吉析科技(上海)有限公司17717235263 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
SelectLab Chemicals GmbH+49-(0)2383-919350 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]

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