Basic information
- CAS
18936-17-9- Standard SMILES
CCC(C)C#N- InChIKey
RCEJCSULJQNRQQ-UHFFFAOYSA-N- Molecular formula
- C5H9N
- Average molar mass
- 83.13 g/mol
- Monoisotopic mass
- 83.07349929
Overview
2-methylbutanenitrile is a nitrile formed formally by substitution of a cyano group at C-2 of butane.
Names & identifiers
- Preferred name
- 2-Methylbutyronitrile
- IUPAC
- 2-methylbutanenitrile
- English name
- 2-METHYLBUTYRONITRILE
- Molecular formula
- C5H9N
- Molecular weight
- 83.13
Names & synonyms
2-Methylbutyronitrile2-Methylbutanenitrile18936-17-92-CyanobutaneButanenitrile, 2-methyl-sec-Butyl Cyanidealpha-Methylbutyronitrile2-Methylbutanone cyanohydrinButyronitrile, 2-methyl-R5Y900M14UNSC-165615CHEBI:61669
Show more names
Nsc165615methylbutyronitrile2-methyl-butyronitril2-methyl-butanenitrilButanenitrile,2-methyl-2-Methylbutyronitrile>
DTXSID50871287RefChem:88284DTXCID30818958242-687-1s-butyl cyanideMFCD00001877.alpha.-MethylbutyronitrileEINECS 242-687-1
Database identifiers
- CAS
18936-17-9- PubChem CID
- 29339
- DTXSID
DTXSID50871287- ChEBI
CHEBI:61669- UNII
- R5Y900M14U
- EC Number
- 242-687-1
- Nikkaji
- J77.618A
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 67.3
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitriles
LogP1.1
Vapor Pressure10.3 [mmHg]
Physical DescriptionMostly soluble in water (8.89 g/L at 25 deg C); [ChemIDplus]
Physicochemical properties
- Melting point
- -60.33 °C · -60.33°C (estimate)
- Boiling point
- 125 °C · 125°C
- Density
- 0 · 0,82 g/cm3
- refractive index
- 1.388 · 1.3880-1.3920
- Flash point
- 24 °C · 24°C
- form
- clear liquid
- color
- Colorless to Almost colorless
- InChI
- 1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3
- InChIKey
- RCEJCSULJQNRQQ-UHFFFAOYSA-N
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 (20.4%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P316, P321, P330, P331, P361+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 54 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 2-methylbutyronitrile (EC: 242-687-1)
Hazards SummarySee CYANIDES.
Hazard Classes and CategoriesFlam. Liq. 2 (20.4%)
Toxicology
Adverse EffectsOther Poison - Chemical Asphyxiant
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- EU0530000
- ridadr
- 1993
- hs_code
- 2926.90.5050
- risk_code
- 10-20/21/22-65-52/53-23/24/25
- Signal word
- Danger
Chemistry & industry
Applications
UsesIntermediate for the production of 2-methyl proprionic acid. Product Data Sheet
Suppliers59 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
山东旭晨化工科技有限公司0533-15715337262 15715337262 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
武汉盈邦医药有限公司+86-13296627870; +86-13971566811 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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