1H-Isoindole-1,3(2H)-dione, 2-(2-bromoethyl)-

HCID 11325
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Substructure searchFind similar structures

Basic information

CAS
574-98-1
Standard SMILES
O=C1c2ccccc2C(=O)N1CCBr
InChIKey
CHZXTOCAICMPQR-UHFFFAOYSA-N
Molecular formula
C10H8BrNO2
Average molar mass
254.08 g/mol
Monoisotopic mass
252.9738406

Names & identifiers

Preferred name
1H-Isoindole-1,3(2H)-dione, 2-(2-bromoethyl)-
IUPAC
2-(2-bromoethyl)isoindole-1,3-dione
English name
N-(2-Bromoethyl)phthalimide
Molecular formula
C10H8BrNO2
Molecular weight
254.08

Names & synonyms

N-(2-BROMOETHYL)PHTHALIMIDE574-98-11H-Isoindole-1,3(2H)-dione, 2-(2-bromoethyl)-1-Bromo-2-phthalimidoethane2-(Bromoethyl)phthalimidebeta-Phthalimidoethyl bromidebeta-BromoethylphthalimidePhthalimide, N-(2-bromoethyl)-N-2-BromoethylphthalimideNSC 2688EINECS 209-379-9DTXSID0060357
Show more names
2-(2-BROMO-ETHYL)-ISOINDOLE-1,3-DIONEAURORA KA-575N-(2-BromoethyLTIMTEC-BB SBB003129N-(2-Bromoethyl)phthSPECS AE-641/00791032Indobufen Impurity 95-BromoethylphthalimideLABOTEST-BB LT00439821
RefChem:438807DTXCID8042214Phthalimide, N-(2-bromoethyl)-(8CI)209-379-9InChI=1/C10H8BrNO2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2-(2-bromoethyl)isoindoline-1,3-dione2-(2-Bromoethyl)-1H-isoindole-1,3(2H)-dione2-(2-bromoethyl)isoindole-1,3-dione

Database identifiers

CAS
574-98-1
PubChem CID
11325
DTXSID
DTXSID0060357
ChEMBL
CHEMBL595355
UNII
A85E8KM8J6
EC Number
209-379-9
Nikkaji
J94.971J

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
37.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
14

Physicochemical properties

Melting point
80 · 80-83 °C (lit.)
Boiling point
318 °C · 318 °C
Density
1.6254 · 1.6254 (rough estimate)
refractive index
1.632 · 1.6320 (estimate)
storage temp.
Sealed in dry,Room Temperature
pka
-2.35 · -2.35±0.20(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H315 (33.3%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: 1H-Isoindole-1,3(2H)-dione, 2-(2-bromoethyl)-

1H-Isoindole-1,3(2H)-dione, 2-(2-bromoethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
hs_code
29251995
risk_code
36/37/38
Signal word
Danger

Chemistry & industry

Uses & manufacturing

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

Applications

UsesN-(2-Bromoethyl)phthalimide is an intermediate used in organic synthesis. It can react with phenyl magnesium bromide to get 2-(2-bromo-ethyl)-3-hydroxy-3-phenyl-isoindolin-1-one.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]

Related reactions

346 records
New reaction record

Compound notes

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