4-Bromophthalimide

HCID 236018

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 6941-75-9
Standard SMILES: O=C1NC(=O)c2cc(Br)ccc21
InChIKey: GNYICZVGHULCHE-UHFFFAOYSA-N
Molecular formula: C8H4BrNO2
Average molar mass: 226.03 g/mol
Monoisotopic mass: 224.94254047

Names & identifiers

Preferred name: 4-Bromophthalimide
IUPAC: 5-bromoisoindole-1,3-dione
English name: 4-Bromophthalimide
Molecular formula: C8H4BrNO2
Molecular weight: 226.03

Names & synonyms

4-BromophthalimideDTXSID90284615RefChem:520544DTXCID70235766678-056-66941-75-95-Bromoisoindoline-1,3-dione5-Bromo-isoindole-1,3-dione5-Bromo-2,3-Dihydro-1H-Isoindole-1,3-Dione5-bromoisoindole-1,3-dioneMFCD004660495-bromo-1H-isoindole-1,3(2H)-dione

Show more names

SKL674e-1,3-dione5-Bromo-isoindoL4-Bromophtalimide5-BROMO PHTHALIMIDE5-bromophthalilmide4-Bromophthalimide >4-BROMOPHTHALIMIDE 98+%

NSC380281H-ISOINDOLE-1,3(2H)-DIONE, 5-BROMO-CBDivE_0141035-Bro moisoindoline-1,3-dioneNSC-380285-bromo-1,3-dihydro-1,3-dioxo-2H-isoindole4-Bromo phthalimideBromophtalimide

Database identifiers

CAS: 6941-75-9
PubChem CID: 236018
DTXSID: DTXSID90284615
EC Number: 678-056-6
Nikkaji: J2.636.978I

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 46.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 241

Physicochemical properties

Melting point: 235 °C · 235 °C
Density: 1.826 · 1.826±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Soluble in N,N-DMF almost transparency.
pka: 9.19 · 9.19±0.20(Predicted)
form: Solid
color: Off-white
InChI: InChI=1S/C8H4BrNO2/c9-4-1-2-5-6(3-4)8(12)10-7(5)11/h1-3H,(H,10,11,12)
InChIKey: GNYICZVGHULCHE-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=C(Br)C=C2)C(=O)N1
CAS DataBase Reference: 6941 · 6941-75-9(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 2933998090 · 2933998090

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 2 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

hs_code: 2933998090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a