(R)-Tetrahydrofuran-2-carbonitrile
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Basic information
- CAS
164472-78-0- Standard SMILES
N#C[C@H]1CCCO1- InChIKey
RZZIKHSWRWWPAN-RXMQYKEDSA-N- Molecular formula
- C5H7NO
- Average molar mass
- 97.12 g/mol
- Monoisotopic mass
- 97.05276385
Names & identifiers
- Preferred name
- (R)-Tetrahydrofuran-2-carbonitrile
- IUPAC
- (2R)-oxolane-2-carbonitrile
- English name
- (S)-TETRAHYDROFURAN-2-CARBONITRILE
- Molecular formula
- C5H7NO
- Molecular weight
- 97.12
Names & synonyms
(R)-Tetrahydrofuran-2-carbonitrile164472-78-0RefChem:407462627-245-1(2R)-oxolane-2-carbonitrileSCHEMBL514698(R)-2-tetrahydrofuran nitrileRZZIKHSWRWWPAN-RXMQYKEDSA-NMFCD04974569H61826(R)-Tetrahydrofuran-2-carbonitrile, >=98.0% (sum of enantiomers, GC)sumofenantiomersgc
Show more names
(S)-TETRAHYDROFURAN-2-CARBONITRILE(R)-Tetrahydrofuran-2-carbonitrilepurum2-Furancarbonitrile, tetrahydro-, (2R)-(R)-Tetrahydrofurfurylnitrile, (R)-Tetrahydrofuroic nitrile(R)-TETRAHYDROFURAN-2-CARBONITRILE PURUM 98+% (SUM OF ENANTIOMERS GC)
Database identifiers
- CAS
164472-78-0- PubChem CID
- 7204860
- EC Number
- 627-245-1
- Nikkaji
- J2.616.104E
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 102
Physicochemical properties
- Boiling point
- 79 · 79-82 °C(Press: 19 Torr)
- Density
- 1.043 · 1.043±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- Flash point
- -17 ℃ · -17℃
- storage temp.
- 2 · 2-8°C
- BRN
- 7197285 · 7197285
- InChI
- 1S/C5H7NO/c6-4-5-2-1-3-7-5/h5H,1-3H2/t5-/m1/s1
- InChIKey
- RZZIKHSWRWWPAN-RXMQYKEDSA-N
- SMILES
- N#C[C@H]1CCCO1
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H302-H312-H315-H319-H332-H335
- Precautionary statements
- 210 · P210-P261-P280-P305+P351+P338
- target organs
- Respiratory system
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 40 reports by companies from 3 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
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- ridadr
- UN 3273 3/PG 2
- risk_code
- 11-20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xn
- safety_code
- 16-26-36
- Storage Class
- 3 - Flammable liquids
- target organs
- Respiratory system
- Hazard statements
- H225-H302-H312-H315-H319-H332-H335
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
Related reactions
1 records
Compound notes
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