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

HCID 79244
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Basic information

CAS
5332-26-3
Standard SMILES
O=C1c2ccccc2C(=O)N1CBr
InChIKey
UUSLLECLCKTJQF-UHFFFAOYSA-N
Molecular formula
C9H6BrNO2
Average molar mass
240.05 g/mol
Monoisotopic mass
238.95819053

Names & identifiers

Preferred name
1H-Isoindole-1,3(2H)-dione, 2-(bromomethyl)-
IUPAC
2-(bromomethyl)isoindole-1,3-dione
English name
N-(Bromomethyl)phthalimide
Molecular formula
C9H6BrNO2
Molecular weight
240.05

Names & synonyms

N-(Bromomethyl)phthalimide5332-26-32-(Bromomethyl)isoindoline-1,3-dionePhthalimidomethyl bromidePhthalimide, N-(bromomethyl)-1H-Isoindole-1,3(2H)-dione, 2-(bromomethyl)-WDG35UDX67NSC 3997NSC-3997EINECS 226-239-2AI3-28934DTXSID0063789
Show more names
2-HydroxypiperazineN-(BROMOMETHYL)PHTALIMIDEN-PHTHALIMIDOMETHYL BROMIDEN-(Bromomethyl)phthalimide>N-(Bromomethyl)phthalimide,97%
2-(BROMOMETHYL)PHTHALIMIDE2-BROMOMETHYLISOINDOLE-1,3-DIONERefChem:438814DTXCID3041401226-239-22-(bromomethyl)isoindole-1,3-dioneN-BROMOMETHYLPHTHALIMIDEMFCD00005897

Database identifiers

CAS
5332-26-3
PubChem CID
79244
DTXSID
DTXSID0063789
UNII
WDG35UDX67
EC Number
226-239-2
Nikkaji
J265.544F

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
37.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Melting point
152 · 152-155 °C(lit.)
Boiling point
318.9 · 318.9±25.0 °C(Predicted)
Density
1.6838 · 1.6838 (rough estimate)
refractive index
1.612 · 1.6120 (estimate)
storage temp.
-20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
pka
-2.72 · -2.72±0.20(Predicted)

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 4 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-(bromomethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F
8-10-21
PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
29251995
risk_code
36/37/38

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1H-Isoindole-1,3(2H)-dione, 2-(bromomethyl)-: INACTIVE
Applications · 1 item

UsesN-(Bromomethyl)phthalimide was used as initiator in synthesis of α-phthalimidopoly(styrene) by atom transfer radical polymerisation. It was also used in synthesis of functionalized 5-(aminomethyl)pyrimidine-2,4,6-trione analog and new bis-C(cage)-substituted o-carborane.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

Related reactions

41 records
New reaction record

Compound notes

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