1-ニトロオキシプロパン

n-PROPYL NITRATE

HCID 12307CAS 627-13-4

基本情報

標準SMILES
CCCO[N+](=O)[O-]
InChIKey
JNTOKFNBDFMTIV-UHFFFAOYSA-N
分子式
C3H7NO3
平均分子量
105.09 g/mol
単同位体質量
105.04259308

概要

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.

名称と識別子

優先名称
n-PROPYL NITRATE
IUPAC
propyl nitrate
現地名
1-ニトロオキシプロパン
英語名
n-Propyl nitrate
分子式
C3H7NO3
分子量
105.09

名称と別名

Propyl nitrateN-PROPYL NITRATE627-13-4Nitric acid, propyl esterMonopropyl nitratenitric acid propyl esterNitrate de propyle normalPropylester kyseliny dusicneUN1865983R6RCP6FDTXSID2060834UN-1865
名称をさらに表示
1-ニトロオキシプロパンプロピルニトラート硝酸プロピルプロピル=ニトラート硝酸n-プロピル硝酸ノルマル‐プロピル硝酸ノルマル-プロピル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

データベース識別子

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

物性

構造計算による物性

XLogP
1.4
極性表面積
55.1 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
2
重原子数
7

実験および物理化学的性質

Chemical Classes · 2 件

Nitrogen Compounds -> Nitrates and Nitrites

Flammable agents - 3rd degree

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

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

物理化学的性質

融点
-99.99 °C · -99.99°C
沸点
762 · bp762 110°; bp760 84.8°
比重(密度)
420 · d420 1.0538
蒸気圧
18 at · 18 at 20 °C (NIOSH, 1997)
屈折率
20 · nD20 1.3979
溶解性
エーテル (Weast, 1986) およびメタノール、エタノール、プロパノール、ブタノールなどの多くのアルコールに可溶。

化学的性質

化学的特性n-Propyl nitrate is a colorless to pale yellow liquid. Ethereal odor.

安全と法規制

GHS分類

GHS Classification · 6 件

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)

危険有害性情報

Regulatory Information · 2 件

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 件

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 件

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 件

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]

安全と保護具

Fire Fighting · 2 件

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 件

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 件

· 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 件

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.

毒性情報

Target OrgansEyes, skin, blood
Environmental Fate · 3 件

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 件

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 件

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 件

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).

安全データ

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

化学と産業

薬理情報

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.

用途と製造

Uses · 3 件

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
応用分野 · 3 件

用途液体ロケット推進薬

使用Fuel ignition promoter, in rocket fuel formulations, as organic intermediate.

一般的な説明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.

サプライヤー9 社

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]

関連反応

3 件

関連ノート

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