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Isopropylnitrat

Isopropyl nitrate

HCID 15575
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Grundinformationen

CAS
1712-64-7
Standard-SMILES
CC(C)O[N+](=O)[O-]
InChIKey
GAPFWGOSHOCNBM-UHFFFAOYSA-N
Summenformel
C3H7NO3
Durchschnittliche Molmasse
105,09 g/mol
Monoisotopische Masse
105,04259308

Überblick

Isopropyl nitrate appears as a clear colorless liquid with a pleasant odor. May spontaneously decompose and explode under prolonged exposure to fire or heat. Denser than water and insoluble in water. Vapors are heavier than air. Produces toxic oxides of nitrogen during combustion.

Namen und Bezeichner

Bevorzugter Name
Isopropyl nitrate
IUPAC
propan-2-yl nitrate
Lokaler Name
Isopropylnitrat
Englischer Name
Isopropyl nitrate
Summenformel
C3H7NO3
Molmasse
105.09

Namen und Synonyme

ISOPROPYL NITRATE1712-64-7Nitric acid, 1-methylethyl esterNitric acid, isopropyl esterIsopropylester kyseliny dusicneUPE48E4UJ4NSC-88934DTXSID5061908RefChem:149831DTXCID2035483216-983-6propan-2-yl nitrate
Weitere Namen anzeigen
(CH3)2CHONO2propane-2-nitrate2-Nitrooxypropaneisopriopyl nitrate2-Propanol nitratePropan-2-ol nitrate1-methylethyl nitrate
IsopropylnitrateNITRIC ACID ISOPROPYL ESTERMFCD000070412-propyl nitrateEINECS 216-983-6NSC 88934UN1222Isopropylester kyseliny dusicne [Czech]

Datenbank-Bezeichner

CAS
1712-64-7
PubChem CID
15575
DTXSID
DTXSID5061908
ChEMBL
CHEMBL401410
UNII
UPE48E4UJ4
EC Number

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,3
Polarare Oberfläche (TPSA)
55,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
1
Schwere Atome
7
Formalladung
0
Komplexität
65,1

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Nitrogen Compounds -> Nitrates and Nitrites

Flammable agents - 3rd degree

SpringerMaterials PropertiesCoriolis coupling
Density1.036 @25 °C
Boiling Point102 °C @760 [mm Hg]
Vapor Pressure34.1 [mmHg]
Physical Description · 2 Einträge

Isopropyl nitrate appears as a clear colorless liquid with a pleasant odor. May spontaneously decompose and explode under prolonged exposure to fire or heat. Denser than water and insoluble in water. Vapors are heavier than air. Produces toxic oxides of nitrogen during combustion.

Clear colorless liquid with a pleasant odor; [CAMEO]

Physikochemische Eigenschaften

Schmelzpunkt
-99.99 °C · -99.99°C
Siedepunkt
101 · 101-102 °C(lit.)

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

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

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Nitric acid, 1-methylethyl ester

Status: Active Update: 18-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24787

Isopropyl nitrate: 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.)

DOT LabelFlammable Liquid
Fire Hazards · 2 Einträge

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

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

Health Hazards · 2 Einträge

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

· May cause toxic effects if inhaled or absorbed through skin.

Hazards SummaryA strong oxidizing agent; [CAMEO] May cause irritation; May induce methemoglobinemia; Targets the blood, nerves, and smooth muscle; [Sigma-Aldrich MSDS] See Amyl nitrate.
DOT ID and Guide1222 130

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationNitric acid, 1-methylethyl ester: ACTIVE

Anwendungen

VerwendenIsopropyl nitrate is used as a diesel cetane improver.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

HarnstoffSalpetersurePropan-2-ol

Anbieter70 Anbieter

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海比阳实业有限公司+86-21-52699951; +8613917686115 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
湖北海克斯生化有限公司17362916295; 17362916295 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Zugehörige Reaktionen

35
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 52461
HRID 52461als Eduktuspto-grants-1997_04
Reaktionsgleichung von HRID 52564
HRID 52564als Eduktuspto-grants-1997_04
Reaktionsgleichung von HRID 362230
HRID 362230als Eduktuspto-grants-1999_02
Reaktionsgleichung von HRID 362231
HRID 362231als Eduktuspto-grants-1999_02
Reaktionsgleichung von HRID 362234
HRID 362234als Eduktuspto-grants-1999_02
Reaktionsgleichung von HRID 362237
HRID 362237als Eduktuspto-grants-1999_02
Reaktionsgleichung von HRID 362239
HRID 362239als Eduktuspto-grants-1999_02
Reaktionsgleichung von HRID 375513
HRID 375513als Eduktuspto-grants-1996_01
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Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
216-983-6
Nikkaji
J572J
Dichte
1.04 g/mL · 1.040 g/mL at 20 °C(lit.)
Dampfdruck
36 · 36-49.996hPa at 20℃
Brechungsindex
20 · n20/D 1.391(lit.)
Flammpunkt
55 °F · 55 °F
Aggregatzustand
Liquid
Wasserlöslichkeit
Partly miscible in water.
BRN
1701405 · 1701405
Henry's Law Constant
7.8 · 7.8×10-3 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
Dielectric constant
11.5 · 11.5(19℃)
Stabilität
Stability Highly flammable. Incompatible with strong reducing agents, strong acids, finely powdered metals, tin chloride, boron trifluoride.
InChI
1S/C3H7NO3/c1-3(2)7-4(5)6/h3H,1-2H3
InChIKey
GAPFWGOSHOCNBM-UHFFFAOYSA-N
SMILES
CC(C)O[N+]([O-])=O
LogP
1.66 · 1.66
CAS Datenbank
1712 · 1712-64-7(CAS DataBase Reference)
NIST chemische Informationen
1 · Nitric acid, 1-methylethyl ester(1712-64-7)
EPA chemische Informationen
1 · Nitric acid, 1-methylethyl ester (1712-64-7)
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity AlertsHighly Flammable
Reactivity Profile · 1 Eintrag

Organonitrates, such as ISOPROPYL NITRATE, range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. Nitroalkanes are milder oxidizing agents, but still react violently with reducing agents at higher temperature and pressures. Nitroalkanes react with inorganic bases to form explosive salts. The presence of metal oxides increases the thermal sensitivity of nitroalkanes. Nitroalkanes with more than one nitro group are generally explosive. Contact with either strong oxidizers or with combustibles may cause fires and explosions.

DOT Hazard Classification · 4 Einträge

Isopropyl nitrate

UN1222

Class 3 Flammable and combustible liquid (49 eCFR § 173.120)

PG II: the degree of danger presented by the material is medium

Air and Water ReactionsHighly flammable. Insoluble in water.
Hazard Classes and Categories · 2 Einträge

Flam. Liq. 2 (100%)

Flammable agents - 3rd degree, Reactive agents - 3rd degree

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
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 · 2 Einträge

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Isolation and Evacuation · 2 Einträge

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

Immediate precautionary measure

Protective Action Criteria (PAC) · 3 Einträge

25 [mg/m3]

170 [mg/m3]

1000 [mg/m3]

Personal Protective Equipment (PPE)Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Emergency Response Planning GuidelinesCAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.

Toxikologische Informationen

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Toxicity DataLC50 (rat) = 29,000 mg/m3/2hr

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 1222
RTECS-Nr.
QU8930000
risk_code
5-8-11-20
hazard_code
O,F,Xn,Xi
safety_code
16-17-33-7/9
hazard_class
3
packing_group
II
Speicherklasse
3 - Flammable liquids
Hazard Classifications
Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
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