Pyrrolidine-1-acetonitrile
Basic information
- CAS
29134-29-0- Standard SMILES
N#CCN1CCCC1- InChIKey
NPRYXVXVLCYBNS-UHFFFAOYSA-N- Molecular formula
- C6H10N2
- Average molar mass
- 110.16 g/mol
- Monoisotopic mass
- 110.08439833
Names & identifiers
- Preferred name
- Pyrrolidine-1-acetonitrile
- IUPAC
- 2-pyrrolidin-1-ylacetonitrile
- English name
- (1-Pyrrolidino)acetonitrile
- Molecular formula
- C6H10N2
- Molecular weight
- 110.16
Names & synonyms
1-PyrrolidineacetonitrilePyrrolidine-1-acetonitrilepyrrolidin-1-ylacetonitrileUNII-6P9EEL10K2NSC 267141-PyrrolidinylacetonitrilePYRROLDINOACETONITRILEEINECS 249-463-2NSC-26714BRN 01061576P9EEL10K2AI3-23764
Show more names
Nsc26714PyrrolidinoacetonitrilPYRROLIDINOACETONITRILE1-cyanomethylpyrrolidineN-Pyrrolidino-acetonitrilN-cyanomethyl pyrrolidineN-PYRROLIDINO-ACETONITRILE
n-cyanomethylpyrrolidineDTXSID201833895-20-01-00344 (Beilstein Handbook Reference)RefChem:177916DTXCID80105880249-463-2NPRYXVXVLCYBNS-UHFFFAOYSA-N29134-29-0
Database identifiers
- CAS
29134-29-0- PubChem CID
- 95270
- DTXSID
DTXSID20183389- UNII
- 6P9EEL10K2
- EC Number
- 249-463-2
- Nikkaji
- J51.431D
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Boiling point
- 84 · 84-86°C 22mm
- Density
- 0.994 · 0.994±0.06 g/cm3 (20 ºC 760 Torr)
- refractive index
- 1.4563 · 1.4563
- Flash point
- 66.2 · 66.2±11.9℃
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 6.59 · 6.59±0.20(Predicted)
- Appearance
- Colorless to light yellow Liquid
- BRN
- 106157 · 106157
- CAS DataBase Reference
- 29134 · 29134-29-0(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 P9EEL10K2 · 6P9EEL10K2
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 302 · H302-H312-H315-H319-H331
- Precautionary statements
- 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
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
H301 (88.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 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 CategoriesAcute Tox. 3 (88.4%)
Safety data
- rtecs
- UX9678600
- ridadr
- 3276
- hs_code
- 29339900
- risk_code
- 20/21/22-36/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-36/37
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H312-H315-H319-H331
- Precautionary statements
- P261-P280-P304+P340-P305+P351+P338-P405-P501a
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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