N-prop-2-ynylphthalimide

HCID 81644

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Basic information

CAS: 7223-50-9
Standard SMILES: C#CCN1C(=O)c2ccccc2C1=O
InChIKey: PAZCLCHJOWLTGA-UHFFFAOYSA-N
Molecular formula: C11H7NO2
Average molar mass: 185.18 g/mol
Monoisotopic mass: 185.04767846

Names & identifiers

Preferred name: N-prop-2-ynylphthalimide
IUPAC: 2-prop-2-ynylisoindole-1,3-dione
English name: N-PROPARGYLPHTHALIMIDE
Molecular formula: C11H7NO2
Molecular weight: 185.18

Names & synonyms

N-PropargylphthalimideN-Prop-2-ynylphthalimideEINECS 230-621-4DTXSID80222546NSC 45254NSC 404555NProp2ynylphthalimideRefChem:831035DTXCID10145037230-621-47223-50-92-(Prop-2-yn-1-yl)isoindoline-1,3-dione

Show more names

AKOS BBS-00002599TIMTEC-BB SBB008979PropargylphthalaMideN-2-PROPYNYLPHTHALIMIDEN-Propargylphthalimide,97%N-Propargylphthalimide 97%

2-(2-Propynyl)-1H-isoindole-1,3(2H)-dione2-(prop-2-ynyl)isoindoline-1,3-dione2-prop-2-ynylisoindole-1,3-dioneMFCD00065028N-PROPARGYL PHTHALIMIDE2-(prop-2-yn-1-yl)-2,3-dihydro-1H-isoindole-1,3-dione2-prop-2-ynylisoindoline-1,3-dione(Phthalimidomethyl)acetylene

Database identifiers

CAS: 7223-50-9
PubChem CID: 81644
DTXSID: DTXSID80222546
UNII: 7UD8ZK82XC
EC Number: 230-621-4
Nikkaji: J146.960F

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 37.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 301

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Other Nitrogen Rings

Physical DescriptionBeige solid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: 148 · 148-152 °C
Boiling point: 304.1 · 304.1±25.0 °C(Predicted)
Density: 1.318 · 1.318±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
form: powder to crystal
pka: -2.54 · -2.54±0.20(Predicted)
color: White to Light yellow to Light orange
InChI: 1S/C11H7NO2/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h1,3-6H,7H2
InChIKey: PAZCLCHJOWLTGA-UHFFFAOYSA-N
SMILES: O=C1N(CC#C)C(=O)c2ccccc12
FDA UNII: 7 UD8ZK82XC · 7UD8ZK82XC
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 264 · P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-36-22
Safety Statements: 37 · 37/39-26
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29251995 · 29251995
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.