N-(4-Bromobutyl)phthalimide

HCID 93575
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Basic information

CAS
5394-18-3
Standard SMILES
O=C1c2ccccc2C(=O)N1CCCCBr
InChIKey
UXFWTIGUWHJKDD-UHFFFAOYSA-N
Molecular formula
C12H12BrNO2
Average molar mass
282.13 g/mol
Monoisotopic mass
281.00514072

Names & identifiers

Preferred name
N-(4-Bromobutyl)phthalimide
IUPAC
2-(4-bromobutyl)isoindole-1,3-dione
English name
N-(4-Bromobutyl)phthalimide
Molecular formula
C12H12BrNO2
Molecular weight
282.13

Names & synonyms

N-(4-Bromobutyl)phthalimide5394-18-32-(4-Bromobutyl)-1H-isoindole-1,3(2H)-dione1H-Isoindole-1,3(2H)-dione, 2-(4-bromobutyl)-NSC 575EINECS 226-401-2DTXSID40202228RefChem:827236DTXCID40124719226-401-22-(4-Bromobutyl)isoindoline-1,3-dione2-(4-bromobutyl)isoindole-1,3-dione
Show more names
SKL282AKOS 92204N-(4-BromobutyLRSYY(Apremilast)-7N-BromobutylphthalimideIntermediate Impurity 67
MFCD000059052-(4-bromobutyl)-2,3-dihydro-1H-isoindole-1,3-dionen-(4-bromobutyl) phthalimiden-(4-bromobutyl)-phthalimide4-Bromobutylphthalimide4-phthalimidobutyl bromideN-[4-(bromo)butyl]phthalimideNSC-575

Database identifiers

CAS
5394-18-3
PubChem CID
93575
DTXSID
DTXSID40202228
ChEMBL
CHEMBL288310
UNII
DCS7MPN5PG
EC Number
226-401-2
Nikkaji
J150.022H

Properties

Computed structural properties

XLogP
3
Topological polar surface area
37.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
16

Experimental & physicochemical properties

LogP2.96

Physicochemical properties

Melting point
76 · 76-80 °C (lit.)
Boiling point
165 · 165-170°C 1mm
Density
1.5271 · 1.5271 (rough estimate)
refractive index
1.632 · 1.6320 (estimate)
Flash point
165 · 165-170°C/1mm
storage temp.
Inert atmosphere,Room Temperature

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 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information1H-Isoindole-1,3(2H)-dione, 2-(4-bromobutyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29251995
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07,GHS08

Chemistry & industry

Applications · 1 item

UsesN-(4-Bromobutyl)phthalimide is used in organic synthesis and the production of pharmaceutical. It can react with 1-phenyl-piperazine to get N-[4-(4-phenyl-piperazin-1-yl)-butyl]-phthalimide. It is a useful synthesis reagent used to synthesize B-cyclodextrin derivatives.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
上海亚兴生物医药科技有限公司021-58956006,021-58950017 15800617331 · [email protected]

Related reactions

200 records
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Compound notes

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