CAS 6270-06-0 N-(2-Chloroethyl)phthalimide (HCID 234274)

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Basic information

CAS: 6270-06-0
Standard SMILES: O=C1c2ccccc2C(=O)N1CCCl
InChIKey: ZPHGARLYQHMNTB-UHFFFAOYSA-N
Molecular formula: C10H8ClNO2
Average molar mass: 209.63 g/mol
Monoisotopic mass: 209.02435618

Names & identifiers

Preferred name: N-(2-Chloroethyl)phthalimide
IUPAC: 2-(2-chloroethyl)isoindole-1,3-dione
English name: N-(2-Chloroethyl)phthalimide
Molecular formula: C10H8ClNO2
Molecular weight: 209.63

Names & synonyms

N-(2-Chloroethyl)phthalimideRefChem:825224634-709-76270-06-02-(2-chloroethyl)isoindoline-1,3-dione2-(2-chloroethyl)-1H-isoindole-1,3(2H)-dione2-(2-chloroethyl)isoindole-1,3-dioneMFCD001293562-(2-Chloroethyl)-1H-isoindole-1,3-dione2-(2-Chloroethyl)-NSC338241H-Isoindole-1,3(2H)-dione, 2-(2-chloroethyl)-

Show more names

N-(B-CHLOROETHYL)PHTHALIMIDEN-(2-CHLOROETHYL)PHTHALIMIDE, 98+%2-(2-chloroethyl)isoindoline-1,3-quinone

1H-Isoindole-1,3(2H)-dione,2-(2-chloroethyl)-N-(2-chloroethyl) phthalimideN-(2-chloroethyl)-phthalimideAKOS BB-8696SCHEMBL2183011SCHEMBL2296434SCHEMBL29750183DTXSID90283860

Database identifiers

CAS: 6270-06-0
PubChem CID: 234274
DTXSID: DTXSID90283860
EC Number: 634-709-7
Nikkaji: J422.071D

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 37.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 243

Physicochemical properties

Melting point: 82 · 82-84 °C (lit.)
Boiling point: 328.2 · 328.2±25.0 °C(Predicted)
Density: 1.383 · 1.383±0.06 g/cm3(Predicted)
storage temp.: Refrigerator
solubility: soluble in Chloroform, Dichloromethane, Ethanol
form: Solid
pka: -2.32 · -2.32±0.20(Predicted)
color: White
InChI: 1S/C10H8ClNO2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2
InChIKey: ZPHGARLYQHMNTB-UHFFFAOYSA-N
SMILES: ClCCN1C(=O)c2ccccc2C1=O
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 2925199590
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

UsesN-(2-Chloroethyl)phthalimide may be used in the preparation of 1-[(dialkylamino)alkyl]-1,8-napthyridin-2(1H)ones and were evaluated for the inhibition of gastric acid secretion invivo.

General DescriptionN-(2-Chloroethyl)phthalimide can be prepared by the reaction of potassium phthalimide and 2-chloroethyl tosylate.