Basic information
- Standard SMILES
CCCCON=O- InChIKey
JQJPBYFTQAANLE-UHFFFAOYSA-N- Molecular formula
- C4H9NO2
- Average molar mass
- 103.12 g/mol
- Monoisotopic mass
- 103.06332853
Overview
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.
Names & identifiers
- Preferred name
- Butyl nitrite
- IUPAC
- butyl nitrite
- English name
- 1-Butyl nitrite
- Molecular formula
- C4H9NO2
- Molecular weight
- 103.12
Names & synonyms
Butyl nitrite544-16-1N-BUTYL NITRITENitrous acid, butyl ester44P8QG0F3TNSC-8426RefChem:829371208-862-11-Butyl nitriteNitrous Acid Butyl EsterNitrous acid, n-butyl esterN-Butylnitrite
Show more names
P95AT-V1AT-V2NCL-C-56553N-Butynitrite
ButylnitriteNCI-C56553NSC 8426DTXSID8049418n-C4H9ONOMFCD00002058Butyl ester of nitrous acidNBN
Database identifiers
- CAS
544-16-1- PubChem CID
- 10996
- DTXSID
DTXSID8049418- ChEMBL
CHEMBL3181968- ChEBI
CHEBI:173360- UNII
- 44P8QG0F3T
- EC Number
- 208-862-1
- Nikkaji
- J4.511J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 47
Experimental & physicochemical properties
Chemical Classes
Nitrogen Compounds -> Nitrates and Nitrites
Flammable agents - 3rd degree
Vapor Pressure81.3 [mmHg]
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.
Oily liquid; [Merck Index]
Physicochemical properties
- Boiling point
- 78 °C · 78 °C (lit.)
- Density
- 0.882 g/mL · 0.882 g/mL at 25 °C (lit.)
- vapor pressure
- 760 mm · 760 mm Hg ( 78 °C)
- refractive index
- 20 · n20/D 1.376(lit.)
- Flash point
- 8 °F · 8 °F
- storage temp.
- 2 · 2-8°C
- solubility
- alcohol: miscible(lit.)
- form
- clear liquid
- color
- Light yellow to Yellow
- Water Solubility
- SLIGHTLY SOLUBLE
- Merck
- 14 · 14,1582
- BRN
- 1701036 · 1701036
- Stability
- Light Sensitive, Volatile
- InChI
- 1S/C4H9NO2/c1-2-3-4-7-5-6/h2-4H2,1H3
- InChIKey
- NALZTFARIYUCBY-UHFFFAOYSA-N
- SMILES
- CCCCON=O
- LogP
- 2.35 · 2.35
- CAS DataBase Reference
- 544 · 544-16-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 44 P8QG0F3T · 44P8QG0F3T
- NIST Chemistry Reference
- n-Butyl nitrite(544-16-1)
- EPA Substance Registry System
- Butyl nitrite (544-16-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 330 · H330-H301-H373-H336-H225
- Precautionary statements
- 501 · P501-P260-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P284-P370+P378-P314-P303+P361+P353-P301+P310+P330-P304+P340+P310-P403+P233-P403+P235-P405
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- F,T
- Risk Statements
- 11 · 11-23/25
- Safety Statements
- 16 · 16-24-45
- RIDADR
- 2351 · UN 2351 3/PG II/III (BUTYL NITRITES)
- WGK Germany
- 1 · 1
- RTECS
- 780000 · RA0780000
- F
- 8 · 8-10-23
- TSCA
- TSCA listed
- HazardClass
- 3.1 · 3.1
- PackingGroup
- II
- HS Code
- 29209090 · 29209090
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 InhalationAcute · Acute Tox. 2 InhalationAcute Tox. 3 OralFlam. Liq. 2
- Toxicity
- 50 orally · LD50 orally in Rabbit: 83 mg/kg
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H225: 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)
Danger
H225 (100%): 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)
Hazard information
Regulatory Information
Status: Active Update: 29-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24419
Butyl nitrite: 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.)
Other Safety InformationIMAP assessments - Nitrous acid, butyl ester: Environment tier I assessment
DOT LabelFlammable Liquid
Fire HazardsExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Health HazardsExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Hazards SummaryVasodilator effects similar to amyl nitrate; [Merck Index] An irritant; May cause lacrimation; Can induce methemoglobinemia; [MSDSonline]
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity AlertsHighly 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 ReactionsHighly flammable. Slightly soluble in water.
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flammable liquid - category 2
Flammable liquids - Category 2
Flammable agents - 3rd degree, Reactive agents - 3rd degree
Flam. Liq. 2
Safety & protection
Fire FightingExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
First AidExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Isolation and EvacuationExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Toxicology
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Toxicity DataLC50 (rat) = 420 ppm/4h
Safety data
- F
- 8-10-23
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- RA0780000
- ridadr
- UN 2351 3/PG II/III (BUTYL NITRITES)
- hs_code
- 29209090
- Toxicity
- LD50 orally in Rabbit: 83 mg/kg
- risk_code
- 11-23/25
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06,GHS08
- hazard_code
- F,T
- safety_code
- 16-24-45
- hazard_class
- 3.1
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H330-H301-H373-H336-H225
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 2 InhalationAcute Tox. 3 OralFlam. Liq. 2
- Precautionary statements
- P501-P260-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P284-P370+P378-P314-P303+P361+P353-P301+P310+P330-P304+P340+P310-P403+P233-P403+P235-P405
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs used to cause dilation of the blood vessels.
Cellular LocationsCytoplasm
Uses & manufacturing
UsesUsed to make rare earth azides; [Merck Index]
General Manufacturing InformationNitrous acid, butyl ester: ACTIVE
Applications
UsesButyl nitrite is used in the manufacture of rare earth azides. It is used as a recreational drug due its vasodilator property.
UsesIt is used as pharmaceutical intermediate.
General DescriptionA 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. Flash point about 15°F. Toxic by ingestion, mildly toxic by inhalation. Used to make fuel for jet airplanes.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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武汉绿景丰华生物科技有限公司19972070065 · [email protected]
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厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
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陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Additional notes
DefinitionChEBI: Butyl nitrite is a nitroso compound.
Related reactions
265 records
Linked notes
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