Pyrrolidine-1-carbonitrile

HCID 73737

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Basic information

CAS: 1530-88-7
Standard SMILES: N#CN1CCCC1
InChIKey: QJRYYOWARFCJQZ-UHFFFAOYSA-N
Molecular formula: C5H8N2
Average molar mass: 96.133 g/mol
Monoisotopic mass: 96.06874826

Names & identifiers

Preferred name: Pyrrolidine-1-carbonitrile
IUPAC: Pyrrolidine-1-carbonitrile
English name: 1-Cyanopyrrolidine
Molecular formula: C5H8N2
Molecular weight: 96.13

Names & synonyms

1-PyrrolidinecarbonitrileN-CYANOPYRROLIDINE1-CYANOPYRROLIDINEN-CYANPYRROLIDIN 97%PYRROLIDINOCYANAMIDE1-CYANOPYRROLIDINE 97%TetramethylenecyanamidePYRROLIDINE-1-CARBONITRILEPYRROLIDINO-N-CARBONITRILE2-[[4-(1-methyl-4-pyridin-1-iumyl)-1-pyridin-1-iumyl]methyl]-4-nitrophenol dichloride

Database identifiers

CAS: 1530-88-7
PubChem CID: 73737
DTXSID: DTXSID90165192
ChEMBL: CHEMBL262697
ChEBI: CHEBI:195083
UNII: DVF8MV7L37
EC Number: 216-234-3
Nikkaji: J206.749H

Properties

Physicochemical properties

Boiling point: 75 · 75-77 °C1.8 mm Hg(lit.)
Density: 0.954 g/mL · 0.954 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.469(lit.)
Flash point: 225 °F · 225 °F
storage temp.: 2 · Storage temp. 2-8°C
pka: -4.27 · -4.27±0.20(Predicted)
form: clear liquid
color: Colorless to Light orange to Yellow
CAS DataBase Reference: 1530 · 1530-88-7(CAS DataBase Reference)
FDA UNII: 8 MV7L37 · DVF8MV7L37
NIST Chemistry Reference: 1 · 1-Pyrrolidinecarbonitrile(1530-88-7)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301+H311+H331-H315-H319
Precautionary statements: 501 · P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22
Safety Statements: 36 · 36
RIDADR: 3276 · 3276
WGK Germany: 3 · 3
Hazard Note: Harmful
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 2933998090 · 2933998090

Safety & regulation

Safety data

wgk: 3
ridadr: 3276
hs_code: 2933998090
risk_code: 20/21/22
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: Xn
hazard_note: Harmful
safety_code: 36
hazard_class: 6.1
packing_group: III
Hazard statements: H301+H311+H331-H315-H319
Precautionary statements: P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405