CAS 3682-32-4|2-NITROSO-1-NAPHTHOL-4-SULFONIC ACID|4-hydroxy-3-nitrosonaphthalene-1-sulfonic acid|4-hydroxy-3-nitrosonaphthalene-1-sulfonic acid|4-羟基-3-亚硝基-1-萘磺酸|2-Nitroso-1-naphthol-4-sulfo...

Molecular Formula

C₁₀H₇NO₅S

Molecular Mass

253.23128

Exact Mass

253.00449333

InChI

InChI=1S/C10H7NO5S/c12-10-7-4-2-1-3-6(7)9(17(14,15)16)5-8(10)11-13/h1-5,12H,(H,14,15,16)

InChIKey

GASPSNIEUBWWJU-UHFFFAOYSA-N

Canonic Smiles

O=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O

Isomeric Smiles

Oc1c2ccccc2c(cc1N=O)S(=O)(=O)O

JChem

Acid pKa

-3.053072

H Acceptors

H Donor

LogD (pH = 5.5)

-0.48336506

LogD (pH = 7.4)

-1.1927816

Log P

-0.25085515

Molar Refractivity

60.685

Polarizability

24.095211

Polar Surface Area

104.03

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

77257

Synonyms

2-NITROSO-1-NAPHTHOL-4-SULFONIC ACID2-Nitroso-1-naphthol-4-sulfonic acid4-羟基-3-亚硝基-1-萘磺酸4-Hydroxy-3-nitroso-1-naphthalenesulfonic acid2-亚硝基-1-萘酚-4-磺酸

IUPAC Traditional name

4-hydroxy-3-nitrosonaphthalene-1-sulfonic acid

IUPAC name

4-hydroxy-3-nitrosonaphthalene-1-sulfonic acid

CAS Number

PubChem SID

MDL Number

Beilstein Number

Product Information

Certificate of Analysis

Download link

Ignition Residue

≤1%

Purity

≥99.0% (TLC)

≥99.0%

Quality

for spectrophotometric det. of Co, Fe

Empirical Formula (Hill Notation)

C10H7NO5S · 4H2O

MSDS Link

Download link

GHS Pictograms

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), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

dust mask type N95 (US), Eyeshields, Gloves

H302-H312-H332-H373

Physical Property

Melting Point

140-145 °C (dec.)

No Data Available

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No Data Available

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MP Biomedicals

05201516

MP Biomedicals Rare Chemical collection

Sigma Aldrich

73930

Other Notes
Determination of cobalt1,2

No Data Available

Click here to submit data

Academic Data

PubChem

77257

Synonyms

2-NITROSO-1-NAPHTHOL-4-SULFONIC ACID2-Nitroso-1-naphthol-4-sulfonic acid4-羟基-3-亚硝基-1-萘磺酸4-Hydroxy-3-nitroso-1-naphthalenesulfonic acid2-亚硝基-1-萘酚-4-磺酸

IUPAC Traditional name

4-hydroxy-3-nitrosonaphthalene-1-sulfonic acid

IUPAC name

4-hydroxy-3-nitrosonaphthalene-1-sulfonic acid

CAS Number

PubChem SID

MDL Number

Beilstein Number

MP Biomedicals Rare Chemical collection

Sigma Aldrich

73930

Other Notes
Determination of cobalt1,2

No Data Available

Click here to submit data

Product Information

Certificate of Analysis

Download link

Ignition Residue

≤1%

Purity

≥99.0% (TLC)

≥99.0%

Quality

for spectrophotometric det. of Co, Fe

Empirical Formula (Hill Notation)

C10H7NO5S · 4H2O

Safety Information

Physical Property

Melting Point

140-145 °C (dec.)

Molecule

ID:106814