CAS 10314-06-4 4-(1,3-Dioxoisoindolin-2-yl)butanoyl chloride (HCID 594886)

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Basic information

CAS: 10314-06-4
Standard SMILES: O=C(Cl)CCCN1C(=O)c2ccccc2C1=O
InChIKey: STXHPGKNMJVJKL-UHFFFAOYSA-N
Molecular formula: C12H10ClNO3
Average molar mass: 251.66 g/mol
Monoisotopic mass: 251.0349209

Names & identifiers

Preferred name: 4-(1,3-Dioxoisoindolin-2-yl)butanoyl chloride
IUPAC: 4-(1,3-dioxoisoindol-2-yl)butanoyl chloride
English name: 1-(2-PhthaliMidobutanoyl)chloride
Molecular formula: C12H10ClNO3
Molecular weight: 251.67

Names & synonyms

10314-06-41-(2-Phthalimidobutyryl)chloride4-(1,3-dioxoisoindolin-2-yl)butanoyl chlorideN-(4-Chloro-4-oxobutyl)phthalimide4-(1,3-dioxoisoindol-2-yl)butanoyl chloride1-(2-PhthaliMidobutanoyl)chlorideMFCD02656536N,N-Phthaloyl-GABA chloride4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl chloride4-phthalimidobutyryl chlorideSCHEMBL922425gamma-phthalimidobutyryl chloride

Show more names

1-(2-Phthalimidobutyryl)chloride - [P1003]1,3-Dihydro-1,3-dioxo-2H-isoindol-2-butanoyl chloride1,3-Dihydro-1,3-dioxo-2H-isoindole-2-butanoyl chloride2H-Isoindole-2-butanoyl chloride, 1,3-dihydro-1,3-dioxo-

DTXSID003441784-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanoyl chlorideSBB001831AKOS015946050AT29531SB64111DA-16125NS-03754

Database identifiers

CAS: 10314-06-4
PubChem CID

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 54.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 332

Physicochemical properties

form: solid
InChI: 1S/C12H10ClNO3/c13-10(15)6-3-7-14-11(16)8-4-1-2-5-9(8)12(14)17/h1-2,4-5H,3,6-7H2
InChIKey: STXHPGKNMJVJKL-UHFFFAOYSA-N
SMILES: ClC(=O)CCCN1C(=O)c2c(cccc2)C1=O
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317
Precautionary statements: 280 · P280
Hazard Codes: Xi
Risk Statements: 43 · 43
Safety Statements: 36 · 36/37
WGK Germany: 3 · WGK 3
HS Code: 2925199590 · 2925199590
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications