Basic information
- CAS
19679-75-5- Standard SMILES
CC1(C#N)CCCO1- InChIKey
ANKPAVMLGPOZOZ-UHFFFAOYSA-N- Molecular formula
- C6H9NO
- Average molar mass
- 111.14 g/mol
- Monoisotopic mass
- 111.06841391
Names & identifiers
- Preferred name
- 2-Methyltetrahydrofuran-2-carbonitrile
- IUPAC
- 2-methyloxolane-2-carbonitrile
- English name
- 2-methyltetrahydrofuran-2-carbonitrile
- Molecular formula
- C6H9NO
- Molecular weight
- 111.14
Names & synonyms
2-Methyltetrahydrofuran-2-carbonitrileEINECS 243-222-5RefChem:476280243-222-519679-75-52-methyloxolane-2-carbonitrile2-Methyltetrahydro-2-furancarbonitrileMFCD06797636NV3F34JK6GSCHEMBL5315127DTXSID60941440ANKPAVMLGPOZOZ-UHFFFAOYSA-N
Show more names
2-Methyl-2-cyano-tetrahydrofuranecyano-2 methyl-2 tetrahydrofuranne2-Furancarbonitrile,tetrahydro-2-methyl-2-methyltetrahydro-2-furancarbonitrile(SALTDATA: FREE)
ALBB-005312AKOS005171587LS-019992-Furancarbonitrile, tetrahydro-2-methyl-CS-0216514NS00047554EN300-49457G37759
Database identifiers
- CAS
19679-75-5- PubChem CID
- 89197
- DTXSID
DTXSID60941440- UNII
- NV3F34JK6G
- EC Number
- 243-222-5
- Nikkaji
- J27.235C
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- Boiling point
- 63 °C · 63 °C
- Density
- 0.979 g/cm3 · 0.979 g/cm3
- form
- solid
- InChI
- 1S/C6H9NO/c1-6(5-7)3-2-4-8-6/h2-4H2,1H3
- InChIKey
- ANKPAVMLGPOZOZ-UHFFFAOYSA-N
- SMILES
- N#CC1(C)OCCC1
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 41 · 41
- Safety Statements
- 26 · 26-39
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- Storage Class
- 11 · 11 - Combustible Solids
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H318
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses2-Methyltetrahydro-2-furancarbonitrile is used as a reagent for the synthesis of C2-carbon-linked heterocyclic-5-hydroxy-6-oxo-dihydropyrimidine-4-carboxamides as HIV-1 integrase inhibitors.
Upstream & downstream products
Downstream products
Suppliers15 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
NEW SANITARY INTERNATIONAL LIMITED+86-13611854774 15502117565 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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