질산 에틸

Ethyl Nitrate

HCID 12259CAS 625-58-1

기본 정보

표준 SMILES
CCO[N+](=O)[O-]
InChIKey
IDNUEBSJWINEMI-UHFFFAOYSA-N
분자식
C2H5NO3
평균 분자량
91.07 g/mol
단동위원소 질량
91.02694302

개요

Ethyl nitrate appears as a clear colorless liquid with a pleasant odor. Prolonged exposure to fire or heat may cause vigorous decomposition and rupturing of the container. Denser than water and insoluble in water. Vapors are heavier than air. Produces toxic oxides of nitrogen during combustion.

이름 및 식별자

우선 이름
Ethyl Nitrate
IUPAC
ethyl nitrate
현지명
질산 에틸
영어명
Ethyl nitrate
분자식
C2H5NO3
분자량
91.07

이름 및 동의어

ETHYL NITRATE625-58-1Nitric etherNitric acid, ethyl esterEthylester kyseliny dusicneE1ZT886LR5NSC-8826DTXSID0060806NSC8826RefChem:139016DTXCID7043374210-903-3
이름 더 보기
질산에틸에틸 나이트레이트1-NitrooxyethaneNitric acid ethylNicorandil Impurity 23Nicorandil Impurity 13 (Ethyl Nitrate)
nitric acid ethyl esterHSDB 415Ethylester kyseliny dusicne [Czech]NSC 8826EINECS 210-903-3BRN 1700275UNII-E1ZT886LR5AI3-24234

데이터베이스 식별자

CAS
625-58-1
PubChem CID
12259
DTXSID
DTXSID0060806
UNII
E1ZT886LR5
EC Number
210-903-3
Nikkaji
J1.687J

물성

구조 계산 물성

XLogP
0.9
극성 표면적
55.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
6

실험 및 물리화학적 성질

Chemical Classes · 2건

Nitrogen Compounds -> Nitrates and Nitrites

Flammable agents - 3rd degree

SpringerMaterials PropertiesSchoenflies notation
OdorPleasant odor
TasteSweet taste
Density · 2건

1.1084 @ 20 °C/4 °C

1.004 @ 20°C

Color/FormColorless liquid

물리화학적 성질

녹는점
-94.59 °C · -94.59°C
끓는 점
87.25 °C · 87.25°C
밀도
1.1084 · 1.1084
굴절률
1.3852 · 1.3852
용해도
1.3 ml · 1.3 ml soluble in 100 ml water at 55°C; miscible with alcohol and ether
Henry's Law Constant
1.6 · 1.6×10-2 mol/(m3Pa) at 25℃, Burkholder et al. (2019)

화학적 성질

Ethyl nitrate is capable of explosive decomposition when exposed to heat.

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H200: (Deleted) Unstable Explosive [Danger Explosives]

P201, P202, P281, P372, P373, P380, P401, and P501 (click each P-code to see the statement)

Danger

H200: (Deleted) Unstable Explosive [Danger Explosives]

P201, P202, P281, P372, P373, P380, P401, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 2건

Chemical: Nitric acid, ethyl ester

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 HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Fire PotentialSPONTANEOUS HEATING: NO
Health HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Hazards SummaryInhalation can cause CNS depression and methemoglobinemia; [HSDB]

안전 및 보호

Fire FightingExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
First AidExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Fire Fighting Procedures · 4건

FOAM, CARBON DIOXIDE, DRY CHEM...

EXTINGUISHING METHOD... WATER MAY BE INEFFECTIVE EXCEPT AS BLANKET.

If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped safely confined. Use water in flooding quantities as fog. Solid streams of water may spread fire. Cool all affected containers with flooding quantities of water. Apply watt from as far a distance as possible. Use foam, dry chemical, or carbon dioxide.

Evacuation: If fire becomes uncontrollable or container is exposed to direct flame - consider evacuation of one-half (1/2) mile radius.

Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Disposal Methods · 1건

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.

Preventive Measures · 4건

Precautions should be taken to prevent the spread of any liq that may accidentally escape from a container. ...should not be exposed in.../poorly/ ventilated conditions.

If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Attempt to stop leak if without undue personnel hazard. Use water spray to knock-down vapors.

Personnel protection: Avoid breathing vapors. Keep upwind. ... Avoid bodily contact with the material. ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amount of water or soap and water.

If material leaking (not on fire) consider evacuation from downwind area based on amount of material spilled, location and weather conditions.

독성 정보

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 24(SRC), determined from a structure estimation method(2), indicates that ethyl nitrate is expected to have very high mobility in soil(SRC). Volatilization of ethyl nitrate from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.6X10-4 atm-cu m/mole(SRC), using a fragment constant estimation method(3). The potential for volatilization of ethyl nitrate from dry soil surfaces may exist(SRC) based upon a vapor pressure of 64 mm Hg(4).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 24(SRC), determined from an estimation method(2), indicates that ethyl nitrate is not expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 2.6X10-4 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 3.1 and 120 hours, respectively(SRC). According to a classification scheme(5), an estimated BCF of 1.8(SRC), from an estimated log Kow of 24(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low.

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), ethyl nitrate, which has a vapor pressure of 64 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase ethyl 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 80 days(SRC), calculated from its rate constant of 2.7X10-13 cu cm/molecule-sec at 25 °C(3).

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Soil Adsorption/Mobility · 1건

Using a structure estimation method based on molecular connectivity indices(1), the Koc for ethyl nitrate can be estimated to be 24(SRC). According to a classification scheme(2), this estimated Koc value suggests that ethyl nitrate is expected to have very high mobility in soil(2).

Natural Pollution Sources · 2건

The atmospheric photochemistry of the organosulfur compounds methyl sulfide, ethyl sulfide, & methanethiol was studied with emphasis on gaseous & particulate reaction products & their modes of formation when exposed to sunlight irradiation & various NO(x) mixtures. Experimental results show that ethyl nitrate is a gas-phase photooxidation product of ethyl sulfide.

The yields of alkyl nitrates formed in the NOx-air photooxidations of the homologous series of n-alkanes from ethane through n-octane have been determined at 299 +/- 2 K & 735 torr total pressure for 2 different chemical systems. Alkyl peroxy radicals were generated by reaction of the n-alkanes with OH radicals (generated from the photolysis of methyl nitrite in air) or Cl atoms (from photolysis of CL2 in air). The alkyl nitrate yields obtained from the 2 systems, corrected for secondary reactions, were in agreement within the exptl errors & incr monotonically with the carbon number of the n-alkane, from equal to or less than 1% for ethane to approx 33% for n-octane, with the yields apparently approaching a limit of approx 35% for larger n-alkanes. Data are consistent with the alkyl nitrates being formed almost entirely from the reaction of peroxy radicals with NO, & the ratios of the corrected alkyl nitrate yields reflect the fraction of RO2 radicals which react with NO to form alkyl nitrates.

Atmospheric Concentrations · 3건

SOURCE DOMINATED: Ethyl nitrate was detected in air samples collected between November 1988 and April 1989 from Juelich, a city surrounded by five lignite-coal-burning power plants in the Black Forest region of Germany at a mean concn of 47.7 parts per trillion(1).

URBAN/SUBURBAN: Ethyl nitrate was detected not quantified in air samples from Vancouver, British Columbia, Canada(1).

RURAL/REMOTE: Ethyl nitrate was detected in air samples collected in May/June 1989 from Schauinsland, southwest of Juelich in the Black Forest region of Germany at a mean concn of 9.5 parts per trillion(1).

Human Toxicity Excerpts · 3건

...HIGHLY TOXIC & IN LARGE DOSES MAY CAUSE DIZZINESS, ABDOMINAL CRAMPS, VOMITING, BLOODY DIARRHEA, WEAKNESS, CONVULSIONS, & COLLAPSE. SMALL, REPEATED DOSES MAY LEAD TO WEAKNESS, GENERAL DEPRESSION, HEADACHE, & MENTAL DISORDERS. /ALKYL NITRATES/

IT IS SAID THAT ETHYL NITRATE HAS ANESTHETIC PROPERTIES & ON INHALATION CAUSES HEADACHE.../PRC: CNS DEPRESSION/ & VOMITING.

A poison by intraperitoneal route. A very dangerous fire hazard when exposed to heat or flame; can react vigorously with oxidizing materials. A moderate explosion hazard when exposed to heat (explodea @ 185 °F).

안전 데이터

tsca
TSCA listed
ridadr
0473
risk_code
2
hazard_code
E
safety_code
23-24/25
위험 등급
1.1A

화학 및 산업

용도 및 제조

Uses · 3건

Used as a chemical intermediate for production of other organic chemicals; [HSDB]

Organic synthesis of drugs, perfumes, and dyes, and as rocket propellant.

CHEM INT FOR DRUGS, PERFUMES; COMPONENT OF ROCKET PROPELLANTS

Methods of Manufacturing · 2건

REACTION OF ETHANOL, UREA NITRATE, AND NITRIC ACID, FOLLOWED BY DISTILLATION

By heating alcohol, urea nitrate, and nitric acid, with subsequent distillation.

General Manufacturing InformationNitric acid, ethyl ester: ACTIVE
응용 분야 · 3건

개요Ethyl nitrate has formula C2H5NO3. It is used in organic synthesis and as an intermediate in the preparation of some drugs, dyes, and perfumes. Ethyl nitrate is found in the atmosphere, where it can react with other gases to form smog. Originally thought to be a pollutant, formed mainly by the combustion of fossil fuels, recent analysis of ocean water samples reveal that in places where cool water rises from the deep, the water is saturated with alkyl nitrates, likely formed by natural processes.

용도Organic synthesis, drugs, perfumes, dyes, rocket propellant.

일반 설명A clear colorless liquid with a pleasant odor. Flash point 50°F. Prolonged exposure to fire or heat may cause vigorous decomposition and rupturing of the container. Denser than water and insoluble in water. Vapors are heavier than air. Produces toxic oxides of nitrogen during combustion.

제조 방법

생산 방법The alkyl nitrates are produced from the corresponding alcohols by esterification with nitric acid in the presence of urea or urea nitrate.

Ethyl nitrate has been prepared by bubbling gaseous nitryl fluoride through ethanol at 10 °C . The reaction was subsequently studied in detail.

공급사20 곳

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
SelectLab Chemicals GmbH+49-(0)2383-919350 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]

관련 반응

7건

연결된 노트

불러오는 중…