CAS 3891-07-4 N-(2-Hydroxyethyl)phthalimide (HCID 77499)

Overview

esters tested as molluscacides; RN given refers to parent cpd

Names & identifiers

Preferred name: N-(2-Hydroxyethyl)phthalimide
IUPAC: 2-(2-hydroxyethyl)isoindole-1,3-dione
English name: N-(2-Hydroxyethyl)phthalimide
Molecular formula: C10H9NO3
Molecular weight: 191.18

Names & synonyms

N-(2-Hydroxyethyl)phthalimide3891-07-42-Phthalimidoethanol1H-Isoindole-1,3(2H)-dione, 2-(2-hydroxyethyl)-2-HydroxyethylphthalimideNSC-2773NSC-5062461842K53O1DTXSID1063225N-[2-hydroxyethyl]phthalimide2-hydroxyethylphtalimideRefChem:825494

Show more names

N-(2-Hydroxylethyl) PhthalimideAKOS BBS-00004429TIMTEC-BB SBB003638N-HydroxyethylphthalAmlodipine Impurity QAlogliptin impurity Q

DTXCID4039578223-434-42-(2-Hydroxyethyl)isoindoline-1,3-dioneN-Hydroxyethylphthalimide2-(2-hydroxyethyl)isoindole-1,3-dioneMFCD00005903Phthalimide, N-(2-hydroxyethyl)-2-(2-HYDROXYETHYL)-2,3-DIHYDRO-1H-ISOINDOLE-1,3-DIONE

Database identifiers

CAS: 3891-07-4
PubChem CID: 77499
DTXSID: DTXSID1063225
UNII: 61842K53O1
EC Number: 223-434-4
Nikkaji: J26.029K

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 57.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 240

Physicochemical properties

Melting point: 126 · 126-128 °C(lit.)
Boiling point: 326.92 °C · 326.92°C (rough estimate)
Density: 1.2722 · 1.2722 (rough estimate)
refractive index: 1.531 · 1.5310 (estimate)
storage temp.: Inert atmosphere,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly)
form: Crystalline Powder
pka: 14.4 · 14.40±0.10(Predicted)
color: White
BRN: 147214 · 147214
InChI: InChI=1S/C10H9NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,12H,5-6H2
InChIKey: MWFLUYFYHANMCM-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC=C2)C(=O)N1CCO
CAS DataBase Reference: 3891 · 3891-07-4(CAS DataBase Reference)
FDA UNII: 61842 K53O1 · 61842K53O1
NIST Chemistry Reference: -2 · N-2-hydroxyethyl phthalimide(3891-07-4)
EPA Substance Registry System: 1 H-Isoindole-1,3 · 1H-Isoindole-1,3(2H)-dione, 2-(2-hydroxyethyl)- (3891-07-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 22 · 22-26-36/37/39-24/25
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29251900 · 29251900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 · Eye Irrit. 2
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (27.7%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 148 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 24-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21914

Hazard Classes and CategoriesSkin Irrit. 2 (27.7%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
hs_code: 29251900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 22-26-36/37/39-24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H319
REACH Registrations: Active
Hazard Classifications: Eye Irrit. 2
Precautionary statements: P264-P280-P305+P351+P338-P337+P313

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1H-Isoindole-1,3(2H)-dione, 2-(2-hydroxyethyl)-: ACTIVE

Applications · 2 items

UsesN-(2-Hydroxyethyl)phthalimide is used as a reagent to synthesize (-)-R-rolipram is a phosphodiesterase 4 inhibitor that is used to treat depression. N-(2-Hydroxyethyl)phthalimide is also used as a reagent to synthesize FR252921, a compound that acts as an immunosuppressant. Amlodipine Impurity 6

General DescriptionN-(2-Hydroxyethyl)phthalimide is the precursor for chloromethyl ethers used in the synthesis of purine acyclic nucleosides.