CAS 78902-09-7 2-Phthalimidoacetaldehyde Diethyl Acetal (HCID 315286)

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Basic information

CAS: 78902-09-7
Standard SMILES: CCOC(CN1C(=O)c2ccccc2C1=O)OCC
InChIKey: GEFXJJJQUSEHLV-UHFFFAOYSA-N
Molecular formula: C14H17NO4
Average molar mass: 263.29 g/mol
Monoisotopic mass: 263.11575802

Names & identifiers

Preferred name: 2-Phthalimidoacetaldehyde Diethyl Acetal
IUPAC: 2-(2,2-diethoxyethyl)isoindole-1,3-dione
English name: Phthalimidoacetaldehyde diethyl acetal
Molecular formula: C14H17NO4
Molecular weight: 263.29

Names & synonyms

2-Phthalimidoacetaldehyde Diethyl AcetalRefChem:478253623-729-178902-09-7Phthalimidoacetaldehyde diethyl acetal2-(2,2-diethoxyethyl)isoindoline-1,3-dione2-(2,2-diethoxyethyl)isoindole-1,3-dione2-(Phthalimido)acetaldehyde diethylacetalN-(2,2-Diethoxyethyl)phthalimideMFCD00005901NSC2402632-(2,2-Diethoxyethyl)-1H-isoindole-1,3(2H)-dione

Show more names

2-(2,2-Diethoxyethyl)LABOTEST-BB LT004541222-(Phthalimido)acetaldehyphthalimido-acetaldehyde hydrateN-(2,2-Diethoxyethyl)phthalimide 98%Phthalimidomalonaldehyde diethyl acetal

NSC-240263SB66080CS-01289272-(2,2-diethoxyethyl)benzo[c]azoline-1,3-dionePhthalim1H-Isoindole-1,3(2H)-dione, 2-(2,2-diethoxyethyl)-FT-0629082SCHEMBL563821

Database identifiers

CAS: 78902-09-7
PubChem CID: 315286

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 19
Formal charge: 0
Complexity: 314

Physicochemical properties

Melting point: 72 · 72-74 °C (lit.)
Boiling point: 372.3 · 372.3±32.0 °C(Predicted)
Density: 1.2 · 1.200±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: -2.17 · -2.17±0.20(Predicted)
form: powder to crystal
color: Light yellow to Yellow to Orange
Water Solubility: Insoluble in water.
Sensitive: Moisture Sensitive
BRN: 215793 · 215793
InChI: 1S/C14H17NO4/c1-3-18-12(19-4-2)9-15-13(16)10-7-5-6-8-11(10)14(15)17/h5-8,12H,3-4,9H2,1-2H3
InChIKey: GEFXJJJQUSEHLV-UHFFFAOYSA-N
SMILES: CCOC(CN1C(=O)c2ccccc2C1=O)OCC
CAS DataBase Reference: 78902 · 78902-09-7(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.