CAS 645-00-1|1-iodo-3-nitrobenzene|1-Iodo-3-nitrobenzene|m-IODONITROBENZENE|3-Iodonitrobenzene|3-iodonitrobenzene|3-Nitroiodobenzene|1-碘-3-硝基苯|1-Iodo-3-nitrobenzene|3-Iodonitrobenzene|1-Iodo-3-n...

Molecular Formula

C₆H₄INO₂

Molecular Mass

249.00593

Exact Mass

248.92867637

InChI

InChI=1S/C6H4INO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H

InChIKey

CBYAZOKPJYBCHE-UHFFFAOYSA-N

Canonic Smiles

Ic1cccc(c1)[N+](=O)[O-]

Isomeric Smiles

Ic1cc(ccc1)[N+](=O)[O-]

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.8421745

LogD (pH = 7.4)

2.8421745

Log P

2.8421745

Molar Refractivity

45.741

Polarizability

17.568542

Polar Surface Area

43.14

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

12574

IUPAC name

1-iodo-3-nitrobenzene

Synonyms

1-Iodo-3-nitrobenzenem-IODONITROBENZENE3-Iodonitrobenzene1-Iodo-3-nitrobenzene1-碘-3-硝基苯3-Iodonitrobenzene3-Nitroiodobenzene1-Iodo-3-nitrobenzene

IUPAC Traditional name

3-iodonitrobenzene

MDL Number

MFCD00007218

PubChem SID

24848660162075956

Beilstein Number

1525167

Physical Property

Storage Warning

Flammable/Harmful

Light Sensitive

MSDS Link

Download link

Personal Protective Equipment

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

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

1325

UN2926

26-36/37-60

H228-H302-H312-H315-H319-H332-H335

H331-H302-H312-H315-H319-H335-H228-H373

P210-P261-P280-P305+P351+P338

P210-P241-P260-P305+P351+P338-P405-P501A

UN 1325 4.1/PG 2

11-20/21/22-36/37/38

11-20/21/22-33-36/37/38

Product Information

Certificate of Analysis

Download link

Purity

99%

98%

Linear Formula

IC6H4NO2

No Data Available

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No Data Available

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MP Biomedicals

05212525

MP Biomedicals Rare Chemical collection

Sigma Aldrich

144495

Packaging
25, 100 g in glass bottle

No Data Available

Click here to submit data

Academic Data

PubChem

12574

IUPAC name

1-iodo-3-nitrobenzene

Synonyms

1-Iodo-3-nitrobenzenem-IODONITROBENZENE3-Iodonitrobenzene1-Iodo-3-nitrobenzene1-碘-3-硝基苯3-Iodonitrobenzene3-Nitroiodobenzene1-Iodo-3-nitrobenzene

IUPAC Traditional name

3-iodonitrobenzene

MDL Number

PubChem SID

Beilstein Number

MP Biomedicals Rare Chemical collection

Sigma Aldrich

144495

Packaging
25, 100 g in glass bottle

No Data Available

Click here to submit data

Physical Property

Safety Information

Product Information

Certificate of Analysis

Download link

Purity

99%

98%

Linear Formula

IC6H4NO2

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

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

Molecule

ID:89070