{"Abbreviation":"","Aliases":["Isobutylnitrite","Nitrous acid, 2-methylpropyl ester","Nitrous acid, isobutyl ester","Isobutylnitrit","nitrous acid 2-methylpropyl ester","NCI-C61052","CCRIS 1099","HSDB 4368","iso-butyl nitrite","EINECS 208-819-7"],"Boiling Point":"153 °","CAS":"542-56-3","CanonicalSMILES":"CC(C)CON=O","ChEBI":"CHEBI:46643","ChEMBL":"CHEMBL1526886","ChemicalClasses":[],"Color/Form":"COLORLESS LIQUID","Density":"0.87 at 72 °F (NTP, 1992) - Less dense than water; will float g/cm\u003csup\u003e3\u003c/sup\u003e","Dosing Info":[],"DrugClasses":[],"European Community (EC) Number":"208-819-7","Flash Point":"-10 °F (NTP, 1992)","IUPACName":"2-methylpropyl nitrite","InChI":"InChI=1S/C4H9NO2/c1-4(2)3-7-5-6/h4H,3H2,1-2H3","InChIKey":"APNSGVMLAYLYCT-UHFFFAOYSA-N","MeSH Pharmacological Classification":"Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)","MolecularFormula":"C\u003csub\u003e4\u003c/sub\u003eH\u003csub\u003e9\u003c/sub\u003eNO\u003csub\u003e2\u003c/sub\u003e","MolecularWeight":"103.12 g/mol","Physical Description":"Isobutyl nitrite is a clear colorless to pale yellow liquid. Boiling point 154.4 °F (68 °C).","PubChemId":10958,"Record Description":["Isobutyl Nitrite can cause cancer according to The National Toxicology Program.","Isobutyl nitrite is a clear colorless to pale yellow liquid. Boiling point 154.4 °F (68 °C).","Isobutyl nitrite is a member of nitrite esters. It is functionally related to an isobutanol.","Isobutyl Nitrite can cause cancer according to The National Toxicology Program.","Isobutyl nitrite is a member of nitrite esters. It is functionally related to an isobutanol."],"References":[{"name":"Wikipedia","url":"https://en.wikipedia.org/wiki/Isobutyl_nitrite"},{"name":"Wikidata","url":"https://www.wikidata.org/wiki/Q1151479"},{"name":"PubChem","url":"https://pubchem.ncbi.nlm.nih.gov/compound/10958"},{"name":"ChemSpider","url":"https://www.chemspider.com/Chemical-Structure.10493.html"},{"name":"ChEMBL","url":"https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1526886"},{"name":"ChEBI","url":"https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:46643"},{"name":"Common Chemistry","url":"https://commonchemistry.cas.org/detail?cas_rn=542-56-3"},{"name":"HMDB","url":"https://hmdb.ca/metabolites/HMDB0253612"},{"name":"UNII","url":"https://gsrs.ncats.nih.gov/ginas/app/ui/substances/GW9WAB6QOM"},{"name":"EPA DSSTox","url":"https://comptox.epa.gov/dashboard/chemical/details/DTXSID3020750"}],"Solubility":"less than 1 mg/mL at 66 °F (NTP, 1992)","StructureBase64":"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","Title":"Isobutyl nitrite","UNII":"GW9WAB6QOM","Wikidata":"Q1151479","XLogP":1.4}