CAS 883-44-3 2-(3-Hydroxypropyl)isoindoline-1,3-dione (HCID 70160)

Names & identifiers

Preferred name: 2-(3-Hydroxypropyl)isoindoline-1,3-dione
IUPAC: 2-(3-hydroxypropyl)isoindole-1,3-dione
English name: N-(3-Hydroxypropyl)phthalimide
Molecular formula: C11H11NO3
Molecular weight: 205.21

Names & synonyms

2-(3-Hydroxypropyl)isoindoline-1,3-dioneRefChem:826607883-44-3N-(3-Hydroxypropyl)phthalimide2-(3-hydroxypropyl)isoindole-1,3-dioneMFCD000230972-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-1,3-dione1H-Isoindole-1,3(2H)-dione, 2-(3-hydroxypropyl)-3-(phthalimido)-propanolUNII-X2TMC7E8YHX2TMC7E8YH2-(3-hydroxypropyl)-1H-isoindole-1,3(2H)-dione

Show more names

AURORA 47862-(3-Hydroxypropyl)3-PHTHALIMIDO-1-PROPANOLN-(3-Hydroxypropyl)phthaliMide 95%N-(3-Hydroxypropyl)phthalimide,99%N-(3-Hydroxypropyl) phthalimide-98%N-(3-HYDROXYPROPYL)PHTHALIMIDE, 95+%

SCHEMBL526807DTXSID40236942NSC-41174STK291435AKOS0021305452-(3-hydroxy-propyl)-isoindole-1,3-dioneSR-01000580138-1N-(3-Hydroxypropyl)-phthalimide

Database identifiers

CAS: 883-44-3
PubChem CID: 70160
DTXSID: DTXSID40236942
ChEBI: CHEBI:190836
UNII: X2TMC7E8YH
EC Number: 212-931-1
Nikkaji: J125.885K

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 57.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 253

Physicochemical properties

Melting point: 74 · 74-76 °C (lit.)
Boiling point: 376.5 · 376.5±25.0 °C(Predicted)
Density: 1.331 · 1.331±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 14.88 · 14.88±0.10(Predicted)
form: Crystalline Powder
color: White
BRN: 158489 · 158489
InChI: 1S/C11H11NO3/c13-7-3-6-12-10(14)8-4-1-2-5-9(8)11(12)15/h1-2,4-5,13H,3,6-7H2
InChIKey: BSMILTTURCQDGJ-UHFFFAOYSA-N
SMILES: OCCCN1C(=O)c2ccccc2C1=O
CAS DataBase Reference: 883 · 883-44-3(CAS DataBase Reference)
FDA UNII: 2 TMC7E8YH · X2TMC7E8YH
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H302-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
HS Code: 29251900 · 29251900
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 3 reports by companies.；There is 1 notification provided by 1 of 3 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Skin Irrit. 2 (33.3%)；Eye Irrit. 2A (33.3%)；STOT SE 3 (33.3%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 29251900
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H319-H315-H302-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Applications · 2 items

UsesN-(3-Hydroxypropyl)phthalimide was used as standard in the synthesis of phthalimide derivatives at high-temperature, high-pressure and H2O/EtOH mixtures as the solvent. It may be used in the synthesis of hydrophilic phosphorylcholine-containing polymer, poly-2-[3-(methacryloylamino)propylammonio] ethyl 3-aminopropyl phosphate.

General DescriptionN-(3-Hydroxypropyl)phthalimide is ω-Hydroxyalkylphthalimide and is prepared by mixing phthalic anhydride and propanolamine and by heating at 160-180 °C for 4 hours.