1-Methylpropyl nitrite
Basic information
- CAS
924-43-6- Standard SMILES
CCC(C)ON=O- InChIKey
NFGNZNFBQAGBJA-UHFFFAOYSA-N- Molecular formula
- C4H9NO2
- Average molar mass
- 103.12 g/mol
- Monoisotopic mass
- 103.06332853
Overview
structure in first source
Names & identifiers
- Preferred name
- 1-Methylpropyl nitrite
- IUPAC
- butan-2-yl nitrite
- English name
- sec-Butyl nitrite
- Molecular formula
- C4H9NO2
- Molecular weight
- 103.12
Names & synonyms
sec-Butyl nitrite924-43-6Nitrous acid, 1-methylpropyl ester1-Methylpropyl nitriteDTXSID90862472RefChem:854390DTXCID50811229213-104-8butan-2-yl nitriteNitrous acid, sec-butyl esterCH3CH2CH(CH3)ONOCCRIS 839
Show more names
2-butylnitriteTIMTEC-BB SBB008065SEC-BUTYL NITRITE 95%nitrousacid,sec-butylesternitrousacid,1-methylpropylester
EINECS 213-104-8BRN 1720638s-butyl nitritesec-Butyl nitrileDQ9S2R2TPH4-01-00-01573 (Beilstein Handbook Reference)SCHEMBL4732789AKOS006272059
Database identifiers
- CAS
924-43-6- PubChem CID
- 13544
- DTXSID
DTXSID90862472- UNII
- DQ9S2R2TPH
- EC Number
- 213-104-8
- Nikkaji
- J34.586E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 55.7
Physicochemical properties
- Boiling point
- 67.85 °C · 67.85°C
- Density
- 0.8726 · 0.8726
- refractive index
- 1.371 · 1.3710
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- sec-Butyl nitrite (924-43-6)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H302-H332
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
- Hazard Codes
- F,Xn
- Risk Statements
- 11 · 11-20/22
- Safety Statements
- 16 · 16-24-46
- RIDADR
- 2351 · 2351
- TSCA
- TSCA listed
- HazardClass
- 3.1 · 3.1
- PackingGroup
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: Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P317, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Danger
H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P317, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Hazard information
Hazard Classes and Categories
Flammable liquid - category 2
Flam. Liq. 2
Safety data
- tsca
- TSCA listed
- ridadr
- 2351
- risk_code
- 11-20/22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xn
- safety_code
- 16-24-46
- hazard_class
- 3.1
- packing_group
- II
- Hazard statements
- H225-H302-H332
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationNitrous acid, 1-methylpropyl ester: INACTIVE
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Compound notes
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