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HCID 10996Erstellt: 27. Oktober 2026

Butylnitrit

BUTYL NITRITE · N-BUTYL NITRITE · NBN · P95 · AT-V1 · AT-V2 · n-C4H9ONO · NCI-C56553

https://huagongshe.com/de/chemical/10996

Identifikatoren & physikalische Daten

CAS No.	544-16-1
Summenformel	C4H9NO2
Durchschnittliche Molmasse	103,12 g/mol
Monoisotopische Masse	103,06332853 g/mol
SMILES	CCCCON=O
InChIKey	JQJPBYFTQAANLE-UHFFFAOYSA-N
PubChem CID	10996
ChEMBL	CHEMBL3181968
ChEBI	CHEBI:173360
EC No.	208-862-1
DTXSID	DTXSID8049418
Lokaler Name	Butylnitrit

Chemische & physikalische Eigenschaften

XLogP	1,3
Polarare Oberfläche (TPSA)	38,7
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	3
Schwere Atome	7
Formalladung	0
Komplexität	47
Stoffklassen	Nitrogen Compounds -> Nitrates and NitritesFlammable agents - 3rd degree
Dampfdruck	81.3 [mmHg]760 mm Hg ( 78 °C)
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.[Merck Index]
Siedepunkt	78 °C (lit.)
Dichte	0.882 g/mL at 25 °C (lit.)
Brechungsindex	n20/D 1.376(lit.)
Flammpunkt	8 °F
Lagerbedingungen	2-8°C
Löslichkeit	alcohol: miscible(lit.)SLIGHTLY SOLUBLE
Aggregatzustand	clear liquid
Farbe	Light yellow to Yellow
Merck	14,1582
BRN	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 (Verteilungskoeffizient)	2.35
CAS Datenbank	544-16-1(CAS DataBase Reference)
NIST chemische Informationen	n-Butyl nitrite(544-16-1)
EPA chemische Informationen	Butyl nitrite (544-16-1)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH225: 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)H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Regulatorische Informationen	Status: Active Update: 29-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24419Butyl nitrite: Does not have an individual approval but may be used under an appropriate group standardThe 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.)
Weitere Sicherheitsinformationen	IMAP assessments - Nitrous acid, butyl ester: Environment tier I assessment
DOT-Kennzeichnung	Flammable Liquid
Brandgefahren	Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Gesundheitsgefahren	Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Gefahrenübersicht	Vasodilator effects similar to amyl nitrate[Merck Index] An irritantMay cause lacrimationCan induce methemoglobinemia[MSDSonline]
Reaktive Gruppe	Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Alerts	Highly 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 Reactions	Highly flammable. Slightly soluble in water.

CAS No.

544-16-1

Summenformel

C4H9NO2

Durchschnittliche Molmasse

103,12 g/mol

Monoisotopische Masse

103,06332853 g/mol

SMILES

CCCCON=O

InChIKey

JQJPBYFTQAANLE-UHFFFAOYSA-N

PubChem CID

10996

ChEMBL

CHEMBL3181968

ChEBI

CHEBI:173360

EC No.

208-862-1

DTXSID

DTXSID8049418

Lokaler Name

Butylnitrit

Chemische & physikalische Eigenschaften

XLogP

1,3

Polarare Oberfläche (TPSA)

38,7

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

Stoffklassen

Nitrogen Compounds -> Nitrates and NitritesFlammable agents - 3rd degree

Dampfdruck

81.3 [mmHg]760 mm Hg ( 78 °C)

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.[Merck Index]

Siedepunkt

78 °C (lit.)

Dichte

0.882 g/mL at 25 °C (lit.)

Brechungsindex

n20/D 1.376(lit.)

Flammpunkt

8 °F

Lagerbedingungen

2-8°C

Löslichkeit

alcohol: miscible(lit.)SLIGHTLY SOLUBLE

Aggregatzustand

clear liquid

Farbe

Light yellow to Yellow

Merck

14,1582

BRN

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 (Verteilungskoeffizient)

2.35

CAS Datenbank

544-16-1(CAS DataBase Reference)

NIST chemische Informationen

n-Butyl nitrite(544-16-1)

EPA chemische Informationen

Butyl nitrite (544-16-1)

Sicherheit & Vorschriften

GHS-Einstufung

DangerH225: 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)H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

Regulatorische Informationen

Status: Active Update: 29-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24419Butyl nitrite: Does not have an individual approval but may be used under an appropriate group standardThe 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.)

Weitere Sicherheitsinformationen

IMAP assessments - Nitrous acid, butyl ester: Environment tier I assessment

DOT-Kennzeichnung

Flammable Liquid

Brandgefahren

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Gesundheitsgefahren

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Gefahrenübersicht

Vasodilator effects similar to amyl nitrate[Merck Index] An irritantMay cause lacrimationCan induce methemoglobinemia[MSDSonline]

Reaktive Gruppe

Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic

Reactivity Alerts

Highly 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 Reactions

Highly flammable. Slightly soluble in water.