CAS 1122-10-7|3,4-dibromo-2,5-dihydro-1H-pyrrole-2,5-dione|3,4-Dibromo-1H-pyrrole-2,5-dione|3,4-dibromo-1H-pyrrole-2,5-dione|2,3-二溴马来酰亚胺|3,4-Dibromopyrrole-2,5-dione|2,3-Dibromomaleimide|3,4-...

Molecular Formula

C₄HBr₂NO₂

Molecular Mass

254.86424

Exact Mass

252.83740228

InChI

InChI=1S/C4HBr2NO2/c5-1-2(6)4(9)7-3(1)8/h(H,7,8,9)

InChIKey

BIKSKRPHKQWJCW-UHFFFAOYSA-N

Canonic Smiles

O=C1NC(=O)C(=C1Br)Br

Isomeric Smiles

N1C(=O)C(=C(C1=O)Br)Br

JChem

Acid pKa

6.6201506

H Acceptors

H Donor

LogD (pH = 5.5)

0.44004878

LogD (pH = 7.4)

-0.3462838

Log P

0.4714176

Molar Refractivity

38.57

Polarizability

14.752275

Polar Surface Area

46.17

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

14279

IUPAC name

3,4-dibromo-2,5-dihydro-1H-pyrrole-2,5-dione

Synonyms

3,4-Dibromo-1H-pyrrole-2,5-dione2,3-二溴马来酰亚胺3,4-Dibromopyrrole-2,5-dione2,3-Dibromomaleimide3,4-二溴吡咯-2,5-二酮

IUPAC Traditional name

3,4-dibromo-1H-pyrrole-2,5-dione

PubChem SID

16203425124879339

CAS Number

1122-10-7

MDL Number

MFCD00185696

TSCA Listed

false

MSDS Link

Download link

Storage Warning

IRRITANT

RTECS

ON5100000

UN Number

1759

RID/ADR

UN 1759 8/PG 2

Risk Statements

34-43

Hazard Class

GHS Hazard statements

H314-H317

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

German water hazard class

European Hazard Symbols

Corrosive (C)

GHS Signal Word

Danger

Safety Statements

26-36/37/39-45

Personal Protective Equipment

Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

GHS Precautionary statements

P280-P305+P351+P338-P310

Packing Group

Product Information

Purity

95+%

97%

Empirical Formula (Hill Notation)

C4HBr2NO2

Physical Property

Melting Point

228-231 °C(lit.)

No Data Available

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No Data Available

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Sigma Aldrich

553603

Packaging
5 g in glass bottle

No Data Available

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Academic Data

PubChem

14279

IUPAC name

3,4-dibromo-2,5-dihydro-1H-pyrrole-2,5-dione

Synonyms

3,4-Dibromo-1H-pyrrole-2,5-dione2,3-二溴马来酰亚胺3,4-Dibromopyrrole-2,5-dione2,3-Dibromomaleimide3,4-二溴吡咯-2,5-二酮

IUPAC Traditional name

3,4-dibromo-1H-pyrrole-2,5-dione

PubChem SID

16203425124879339

CAS Number

1122-10-7

MDL Number

MFCD00185696

Safety Information

Product Information

Purity

95+%

97%

Empirical Formula (Hill Notation)

C4HBr2NO2

Physical Property

Melting Point

228-231 °C(lit.)

Sigma Aldrich

553603

Packaging
5 g in glass bottle

No Data Available

Click here to submit data

Molecule

ID:68520