Basic information
- CAS
543-29-3- Standard SMILES
CC(C)CO[N+](=O)[O-]- InChIKey
LNNXFUZKZLXPOF-UHFFFAOYSA-N- Molecular formula
- C4H9NO3
- Average molar mass
- 119.12 g/mol
- Monoisotopic mass
- 119.05824315
Names & identifiers
- Preferred name
- Isobutyl nitrate
- IUPAC
- 2-methylpropyl nitrate
- English name
- ISOBUTYL NITRATE
- Molecular formula
- C4H9NO3
- Molecular weight
- 119.12
Names & synonyms
ISOBUTYL NITRATE543-29-3356EF349VIDTXSID70202655RefChem:149093DTXCID00125146208-842-22-methylpropyl nitrateNitric acid, isobutyl esterNitric acid, 2-methylpropyl esterIsobutylnitratenitric acid isobutyl ester
Show more names
2-Methyl-1-propyl nitrate
isobutylnitratUNII-356EF349VINitric acid 2-methylpropyl esterEINECS 208-842-2ISOBUTYL NITRATE [MI]SCHEMBL324571CHEMBL401409SCHEMBL5935078
Database identifiers
- CAS
543-29-3- PubChem CID
- 10974
- DTXSID
DTXSID70202655- ChEMBL
CHEMBL401409- UNII
- 356EF349VI
- EC Number
- 208-842-2
- Nikkaji
- J95.003C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 75.8
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -111.59 °C · -111.59°C (estimate)
- Boiling point
- 123 °C · 123 °C(lit.)
- Density
- 1.015 g/mL · 1.015 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.402(lit.)
- Flash point
- 70 °F · 70 °F
- Merck
- 13 · 13,5164
- Henry's Law Constant
- 7 · 7.0×10-3 mol/(m3Pa) at 25℃, Kames and Schurath (1992)
- Dielectric constant
- 11.9 · 11.9(19℃)
- FDA UNII
- 356 EF349VI · 356EF349VI
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H302-H312-H315-H319-H332-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 3272 3/PG 2
- risk_code
- 1-5-10-20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- E,Xn
- safety_code
- 15-26-27-36/37/39
- hazard_class
- 3.1
- packing_group
- II
- Hazard statements
- H225-H302-H312-H315-H319-H332-H335
- Precautionary statements
- P210-P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers15 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Hebei Shengyuan Jinlong Import and Export Co. LTD+86-17367750398 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
天津安浩生物科技有限公司[email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Aladdin Scientific
Related reactions
7 records
Compound notes
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