Isobutylnitrite supplier | CasNO.542-56-3

Name
Isobutylnitrite
EINECS 208-819-7
CAS No. 542-56-3
Article Data18
CAS DataBase
Density 0.99 g/cm³
Solubility <0.1 g/100 mL (19 °C)
Melting Point
Formula C₄H₉NO₂
Boiling Point 70.5 °C at 760 mmHg
Molecular Weight 103.121
Flash Point −6 °F
Transport Information
Appearance colourless to pale yellow liquid
Safety 45-53
Risk Codes 11-20/22-45-68
Molecular Structure
Hazard Symbols F,T
Synonyms Isobutylnitrite (6CI,7CI);Nitrous acid, isobutyl ester (8CI);iso-Butylnitrite;Blackjack;
PSA 38.66000
LogP 1.34040

Synthetic route

: 78-83-1
2-methyl-propan-1-ol

: 542-56-3
nitrous acid isobutyl ester

Conditions

Conditions	Yield
With sodium nitrite in saurer Loesung;
With Nitrogen dioxide
With nitrosylchloride

: 78-77-3
Isobutyl bromide

A: 542-56-3
nitrous acid isobutyl ester

B: 625-74-1
1-nitroisobutane

Conditions

Conditions	Yield
With silver(I) nitrite unter Kuehlung;

: 513-38-2
Isobutyl iodide

A: 542-56-3
nitrous acid isobutyl ester

B: 625-74-1
1-nitroisobutane

Conditions

Conditions	Yield
With silver(I) nitrite unter Kuehlung;
With silver(I) nitrite; Petroleum ether

: 26397-34-2
isobutyloxyl

A: 542-56-3
nitrous acid isobutyl ester

B: 78-84-2
isobutyraldehyde

Conditions

Conditions	Yield
With H2(15)NO at 175℃; Product distribution; ratios of disproportion to combination reactions; labeled by 15N;

potassium isobutyl sulfate: potassium isobutyl sulfate

: 542-56-3
nitrous acid isobutyl ester

Conditions

Conditions	Yield
With alkali nitrite beim schmelzen;
With alkaline earth nitrite Man schmilzt zusammen;

: 78-77-3
Isobutyl bromide

silver nitrite: silver nitrite

A: 542-56-3
nitrous acid isobutyl ester

B: 625-74-1
1-nitroisobutane

...Expand

: 513-38-2
Isobutyl iodide

silver nitrite: silver nitrite

A: 542-56-3
nitrous acid isobutyl ester

B: 625-74-1
1-nitroisobutane

...Expand

: 78-83-1
2-methyl-propan-1-ol

: 7782-77-6
cis-nitrous acid

: 542-56-3
nitrous acid isobutyl ester

: 1487-15-6
2-Methyl-4,5-dihydrofuran

: 542-56-3
nitrous acid isobutyl ester

Conditions

Conditions	Yield
With pyridine; hydrogenchloride; water In methanol at 65℃; for 1h; Solvent; Temperature; Reagent/catalyst;

: 542-56-3
nitrous acid isobutyl ester

: 78-84-2
isobutyraldehyde

Conditions

Conditions	Yield
With dimethyl sulfoxide at 70℃; for 6h;	95.95%
With boron trifluoride diethyl etherate In diethyl ether for 4h; Ambient temperature;	92%

: 542-56-3
nitrous acid isobutyl ester

: 583-68-6
2-bromo-p-toluidine

: 452-62-0
3-bromo-4-fluorotoluene

Conditions

Conditions	Yield
With hydrogen fluoride; boron trifluoride In 1,2-dimethoxyethane	92.4%

: 542-56-3
nitrous acid isobutyl ester

: 583-68-6
2-bromo-p-toluidine

A 2-bromo-4-methylbenzenediazonium tetrafluoborate: 2-bromo-4-methylbenzenediazonium tetrafluoborate

B: 452-62-0
3-bromo-4-fluorotoluene

Conditions

Conditions	Yield
With hydrogen fluoride; boron trifluoride In 2-methyl-propan-1-ol	A n/a B 92.4%

...Expand

: 3-isopentyl-3-(isobutyl α-D-glucopyranose-3-yl)-1-(2-chloroethyl)urea

: 542-56-3
nitrous acid isobutyl ester

A: 3-n-propyl-3-(isobutyl α-D-glucopyranose-6-yl)-1-(2-chloroethyl)-1-nitrosourea

B: 3-isopentyl-3-(isobutyl α-D-glucopyranose-3-yl)-1-(2-chloroethyl)-1-nitrosourea

Conditions

Conditions	Yield
With hydrogenchloride In tetrahydrofuran; ethanol	A 67.3% B n/a

...Expand

: 542-56-3
nitrous acid isobutyl ester

: 1-(9,9-dipropyl-9H-fluorene-2-yl)-4-cyclopentyl-1-butanone

: 1-(9,9-dipropyl-9H-fluorene-2-yl)-4-cyclopentyl-1,2-butanedione-2-oxime

Conditions

Conditions	Yield
With hydrogenchloride In tetrahydrofuran; water at 10℃; for 6h;	61.7%

: 542-56-3
nitrous acid isobutyl ester

: 1-(9,9-dipropyl-9H-fluorene-2yl)-3-cyclopentyl-1-propanone

: 1-(9,9-dipropyl-9H-fluorene-2yl)-3-cyclopentyl-1,2-propanedione-2-oxime

Conditions

Conditions	Yield
With hydrogenchloride In tetrahydrofuran; water at 5℃; for 6h;	60.1%

: 542-56-3
nitrous acid isobutyl ester

: 1-(9,9-dipropyl-9H-fluorene-2yl)-1-nonanone

: 1-(9,9-dipropyl-9H-fluorene-2yl)-1,2-nonanedione-2-oxime

Conditions

Conditions	Yield
With hydrogenchloride In tetrahydrofuran; water at 10℃; for 6h;	56.1%

: 542-56-3
nitrous acid isobutyl ester

: 1-(9,9-dipropyl-9H-fluorene-2yl)-1-octanone

: 1-(9,9-dipropyl-9H-fluoren-2-yl)-1,2-octanedione-2-oxime

Conditions

Conditions	Yield
With hydrogenchloride In tetrahydrofuran; water at 10℃; for 6h;	55.8%

: 542-56-3
nitrous acid isobutyl ester

: 1-(9H-fluoren-2-yl)-3-cyclopentyl-1-propanone

: 1-(9H-fluoren-2-yl)-3-cyclopentyl-1,2-propanedione-2-oxime

Conditions

Conditions	Yield
With hydrogenchloride In tetrahydrofuran; water at 5℃; for 6h;	53%

: 542-56-3
nitrous acid isobutyl ester

: 1-(9,9-dimethyl-9H-fluorene-2yl)-3-cyclopentyl-1-propanone

: 1-(9,9-dimethyl-9H-fluorene-2yl)-3-cyclopentyl-1,2-propanedione-2-oxime

Conditions

Conditions	Yield
With hydrogenchloride In tetrahydrofuran; water at 5℃; for 6h;	50.8%

: 542-56-3
nitrous acid isobutyl ester

: 5824-40-8
Triphenylmethylamin

: 7757-82-6
sodium sulfate

: 27250-44-8
(6R)-3-methyl-8-oxo-7c-(2-phenoxy-acetylamino)-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid

: Triphenylmethyl 3-methyl-7β-phenoxyacetamidoceph-3-em-4-carboxylate

Conditions

Conditions	Yield
In dichloromethane; water; toluene	50%

...Expand

: cephalothin

: 542-56-3
nitrous acid isobutyl ester

: 108-91-8
cyclohexylamine

: Cyclohexyl 3-acetoxymethyl-7β-(2-thienylacetamido)ceph-3-em-4-carboxylate

Conditions

Conditions	Yield
In ISOPROPYLAMIDE; ethyl acetate; acetonitrile	22.9%

...Expand

: 542-56-3
nitrous acid isobutyl ester

: 1202890-01-4
ethyl 7-(2-amino-4-(tert-butoxycarbonyl)phenoxy)-8-bromo-6-chlorochroman-4-carboxylate

: 1202890-02-5
ethyl 8-bromo-7-(4-(tert-butoxycarbonyl)phenoxy)-6-chlorochroman-4-carboxylate

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 70℃; for 0.5h;	17%

: 6342-87-6
2,3-dihydro-1H-benzindene-1-one

: 542-56-3
nitrous acid isobutyl ester

: 109725-95-3
3H-cyclopenta[a]naphthalene-1,2-dione-2-oxime

: 542-56-3
nitrous acid isobutyl ester

: 936-59-4
3-chloropropiophenone

: 61655-94-5
3-chloro-1-phenyl-propane-1,2-dione-2-oxime

Conditions

Conditions	Yield
With hydrogenchloride; ether benzene

: 542-56-3
nitrous acid isobutyl ester

: 55563-72-9
3-methoxy-1-phenylpropan-1-one

: 61655-94-5
3-chloro-1-phenyl-propane-1,2-dione-2-oxime

Conditions

Conditions	Yield
With hydrogenchloride; ether benzene

: 542-56-3
nitrous acid isobutyl ester

: 55563-72-9
3-methoxy-1-phenylpropan-1-one

: 3-methoxy-1-phenyl-propane-1,2-dione-2-oxime

Conditions

Conditions	Yield
With hydrogenchloride

: 542-56-3
nitrous acid isobutyl ester

: 55563-72-9
3-methoxy-1-phenylpropan-1-one

: 3-methoxy-1-phenyl-propane-1,2-dione-2-[O-(4-nitro-benzoyl)-oxime ]

Conditions

Conditions	Yield
anschliessendes Behandeln mit 4-Nitro-benzoylchlorid;

: 542-56-3
nitrous acid isobutyl ester

: 1835-04-7
ethyl 3,4-dimethoxyphenyl ketone

: 103502-07-4
1-(3,4-dimethoxy-phenyl)-propane-1,2-dione-2-oxime

Conditions

Conditions	Yield
With hydrogenchloride; benzene

: 542-56-3
nitrous acid isobutyl ester

: 940-04-5
1-(4-hydroxy-3-methylphenyl)propan-1-one

: 1-(4-hydroxy-3-methyl-phenyl)-propane-1,2-dione-2-oxime

Conditions

Conditions	Yield
With hydrogenchloride; diethyl ether; benzene

: 542-56-3
nitrous acid isobutyl ester

: 810661-50-8
3,4-diethoxy-deoxybenzoin

: 3,4-diethoxy-benzil-α'-oxime

Conditions

Conditions	Yield
With hydrogenchloride; benzene

: 542-56-3
nitrous acid isobutyl ester

: N-(2-Hydroxy-phenyl)-N'''-phenyl-3-undecyl-formazan

: 2-(2-hydroxy-phenyl)-3-phenyl-5-undecyl-tetrazolium; chloride

Conditions

Conditions	Yield
With hydrogenchloride; methanol

: 542-56-3
nitrous acid isobutyl ester

: 884-12-8
β-(N,N-diethylamino)propiophenone hydrochloride

: 101265-02-5
3-diethylamino-1-phenyl-propane-1,2-dione-2-oxime

Conditions

Conditions	Yield
With hydrogenchloride; methanol

: 542-56-3
nitrous acid isobutyl ester

: 101356-15-4
3-dipropylamino-1-phenyl-propan-1-one; hydrochloride

: 3-dipropylamino-1-phenyl-propane-1,2-dione-2-oxime

Conditions

Conditions	Yield
With hydrogenchloride; methanol

: 542-56-3
nitrous acid isobutyl ester

: 5409-62-1
3-(benzyl methylamino)-1-phenylpropan-1-one hydrochloride

: 3-(benzyl-methyl-amino)-1-phenyl-propane-1,2-dione-2-oxime

Conditions

Conditions	Yield
With hydrogenchloride; methanol

: 542-56-3
nitrous acid isobutyl ester

: 886-06-6
1-phenyl-3-piperidino-propan-1-one; hydrochloride

: 108488-77-3
1-phenyl-3-piperidino-propane-1,2-dione-2-oxime

Conditions

Conditions	Yield
With hydrogenchloride

: 542-56-3
nitrous acid isobutyl ester

: 78-82-0
Isobutyronitrile

Conditions

Conditions	Yield
With hydrogen; nickel at 320 - 330℃;

: 542-56-3
nitrous acid isobutyl ester

: 2025-55-0
isopropyl radical

Conditions

Conditions	Yield
at 475℃;

: 542-56-3
nitrous acid isobutyl ester

: 2717-67-1, 17606-84-7, 37765-15-4
trans-nitrosomethane dimer

Conditions

Conditions	Yield
Irradiation.mit UV-Licht; trans-dimethyl-diazene dioxide;

: 542-56-3
nitrous acid isobutyl ester

: 57527-63-6, 92670-22-9
(i-PrNO)2

Conditions

Conditions	Yield
Pyrolysis; cis-diisopropyl-diazene dioxide;

Isobutylnitrite Chemical Properties

Isobutyl nitrite(542-56-3)'s molecular formula is C₄H₉NO₂ and its formula weight is .
The density of isobutyl nitrite(542-56-3) is 0.87 g/mL at 25 °C(lit.) and it has a boiling point of 66-67°C. The refractive index is about 1.373(lit.). Its flash point is -6 °F.
The molecular structure of Isobutyl nitrite(542-56-3):

Isobutylnitrite Uses

Amyl nitrite is employed medically to treat heart diseases such as angina and to treat cyanide poisoning. It is also used as an inhalant drug that induces a brief euphoria; while already intoxicated with stimulant drugs such as cocaine or ecstasy (see MDMA), the euphoric state intensifies and lasts for several minutes longer. After the stimulative drugs wear off, a common side-effect is a period of depression or anxiety, called a come-down; amyl nitrite is sometimes used to come-up again in order to stop the user from feeling lousy.

Isobutylnitrite Toxicity Data With Reference

1.	mmo-sat 1 mg/plate	BSIBAC Bolletino della Societe Italiana di Biologia Sperimentale. 56 (1980),816.
2.	mma-sat 333 µg/plate	NTPTB* NTP Technical Bulletin. (National Toxicology Program, Landow Bldg. 3A-06, 7910 Woodmont Ave., Bethesda, MD 20205) APR 82 .
3.	orl-man TDLo:120 mg/kg:BLD,CVS	AIMEAS Annals of Internal Medicine. 92 (1980),637.
4.	orl-rat LD50:410 mg/kg	FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. 41 (1982),1583.
5.	ihl-rat LC50:777 ppm/4H	FAATDF Fundamental and Applied Toxicology. 8 (1987),101.
6.	orl-mus LD50:205 mg/kg	RCSADO Research Communications in Substances Abuse. 3 (1982),233.
7.	ihl-mus LC50:1033 ppm/1H	FAATDF Fundamental and Applied Toxicology. 1 (1981),448.
8.	ipr-mus LD50:169 mg/kg	TXAPA9 Toxicology and Applied Pharmacology. 48 (1979),A43.

Isobutylnitrite Consensus Reports

Reported in EPA TSCA Inventory.

Isobutylnitrite Safety Profile

A poison by ingestion and intraperitoneal routes. Mildly toxic by inhalation. Human systemic effects by ingestion: carboxyhemoglobinemia, blood pressure lowering, change in heart rate. Mutation data reported. When heated to decomposition it emits toxic fumes of NO_x. See also ESTERS and NITRITES.

Isobutylnitrite Standards and Recommendations

ACGIH TLV: CL 1 200 ppm; Confirmed Animal Carcinogen

Isobutylnitrite Specification

Chemical Stability: Stable. However, may decompose if heated. Air sensitive. Moisture sensitive. Light sensitive.
Conditions to Avoid: Incompatible materials, light, ignition sources, exposure to air, exposure to moist air or water.
Incompatibilities with Other Materials: Strong oxidizing agents, strong reducing agents, bases, alcohols, amines.
Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Product Name

Isobutylnitrite

Synthetic route

Isobutylnitrite Chemical Properties

Isobutylnitrite Uses

Isobutylnitrite Toxicity Data With Reference

Isobutylnitrite Consensus Reports

Isobutylnitrite Safety Profile

Isobutylnitrite Standards and Recommendations

Isobutylnitrite Specification

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