Basic information
- CAS
928-45-0- Standard SMILES
CCCCO[N+](=O)[O-]- InChIKey
QQHZPQUHCAKSOL-UHFFFAOYSA-N- Molecular formula
- C4.H9.N.O3
- Average molar mass
- 119.12 g/mol
- Monoisotopic mass
- 119.05824315
Names & identifiers
- Preferred name
- Butyl nitrate
- IUPAC
- butyl nitrate
- English name
- N-BUTYL NITRATE
- Molecular formula
- C4H9NO3
- Molecular weight
- 119.12
Names & synonyms
BUTYL NITRATE928-45-0n-BUTYL NITRATENitric acid, butyl esterUNII-00YK6AM7PG00YK6AM7PGEINECS 213-172-9n-C4H9ONO2DTXSID70239143RefChem:122279DTXCID90161634213-172-9
Show more names
Butylnitrate1-butylnitrate1-NitrooxybutanenitricacidbutylesterNitricacid,butylester
QQHZPQUHCAKSOL-UHFFFAOYSA-Nn-Butylnitrate1-butyl nitrateSCHEMBL326035CHEMBL249809SCHEMBL1041499SCHEMBL1041500SCHEMBL4695529
Database identifiers
- CAS
928-45-0- PubChem CID
- 13567
- DTXSID
DTXSID70239143- ChEMBL
CHEMBL249809- UNII
- 00YK6AM7PG
- EC Number
- 213-172-9
- Nikkaji
- J101.069G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 68.2
Experimental & physicochemical properties
Chemical Classes
Nitrogen Compounds -> Nitrates and Nitrites
Flammable agents - 3rd degree
SpringerMaterials PropertiesCoriolis coupling
LogP2.15
Density1.0228 @ 30°C
Boiling Point136 °C @760 [mm Hg]
Vapor Pressure8.3 [mmHg]
Physical DescriptionWater-white liquid; [Hawley]
Physicochemical properties
- Melting point
- -111.59 °C · -111.59°C (estimate)
- Boiling point
- 136.05 °C · 136.05°C
- Density
- 1.0228 · 1.0228
- refractive index
- 1.4013 · 1.4013
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationThe 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.)
Hazards SummaryAn oxidizing agent; May explode from heat or shock; [Hawley] May cause irritation; [MSDSonline] See NITRATES and NITRITES.
Hazard Classes and CategoriesFlammable agents - 3rd degree, Reactive agents - 3rd degree
Safety & protection
Protective Action Criteria (PAC)
40 [ppm]
330 [ppm]
2000 [ppm]
Toxicology
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Safety data
- ridadr
- 1992
- hs_code
- 2929900090
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_class
- 3.2
- packing_group
- III
- Hazard statements
- H225-H319-H335-H302+H312+H332-H315
- Precautionary statements
- P210-P241-P362+P364
Chemistry & industry
Applications
UsesN-BUTYL NITRATE is used in organic synthesis, and also as an organic solvent and oil additive.
Upstream & downstream products
Downstream products
Suppliers16 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
安泰精细化工技术有限公司18503026267 · [email protected]
Shaanxi Didu New Materials Co. Ltd
Related reactions
1 records
Compound notes
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