2-Nitrobenzolsulfonsure

2-Nitrobenzenesulphonic acid

HCID 6664CAS 31212-28-9

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Grundinformationen

Standard-SMILES: O=[N+]([O-])c1ccccc1S(=O)(=O)O
InChIKey: HWTDMFJYBAURQR-UHFFFAOYSA-N
Summenformel: C6H5NO5S
Durchschnittliche Molmasse: 203,17 g/mol
Monoisotopische Masse: 202,98884326

Überblick

Nitrobenzenesulfonic acid appears as a whitish colored solid in the form of flakes. It will form a corrosive solution in water. Denser than water. Severely irritates skin and eyes. Used to make other chemicals.

Namen und Bezeichner

Bevorzugter Name: 2-Nitrobenzenesulphonic acid
IUPAC: 2-nitrobenzenesulfonic acid
Lokaler Name: 2-Nitrobenzolsulfonsure
Englischer Name: 2-Nitrobenzenesulfonic acid
Summenformel: C6H5NO5S
Molmasse: 203.17

Namen und Synonyme

2-NITROBENZENESULFONIC ACID80-82-031212-28-9Benzenesulfonic acid, 2-nitro-2-Nitrobenzenesulphonic acidNitrobenzenesulphonic acidCCRIS 3130Nitrobenzenesulfonic acidEINECS 201-311-6DTXSID601033533RefChem:477195DTXCID7038315

Weitere Namen anzeigen

Evocalcet impurity 49Ivankasse Impurity 302-NITROBENZENESULFONATE ACIDortho-Nitrobenzenesulfonic acid2-Nitrobenzenesulfonic Acid 2-NITROBENZENESULFONIC ACID HYDRATE

DTXSID9075321201-311-6o-Nitrobenzenesulfonic acid2-nitro-benzenesulfonic acidBenzenesulfonic acid, nitro-2-nitrobenzene-1-sulfonic acidNitrobenzolsulfosaureMFCD00053617

Datenbank-Bezeichner

CAS: 31212-28-9、80-82-0
PubChem CID: 6664
DTXSID: DTXSID601033533
UNII: 369V94Y7E9
EC Number: 201-311-6
Nikkaji: J30.517K、J877.309B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 109 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 287

Experimentelle und physikochemische Eigenschaften

Chemical ClassesCorrosives

Physical DescriptionNitrobenzenesulfonic acid appears as a whitish colored solid in the form of flakes. It will form a corrosive solution in water. Denser than water. Severely irritates skin and eyes. Used to make other chemicals.

Physikochemische Eigenschaften

Dichte: 1.637 · 1.637
pka: -1.43 · -1.43±0.18(Predicted)
Aggregatzustand: powder to crystal
Farbe: Light orange to Yellow to Green
CAS Datenbank: 80 · 80-82-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 92.5% (37 of 40) of all reports.

Not Classified

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelCorrosive

Fire Hazards · 2 Einträge

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

· Combustible material: may burn but does not ignite readily.

Health Hazards · 2 Einträge

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.

DOT ID and Guide2305 153

Reactive GroupAcids, Strong Oxidizing

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Accidental Release Measures · 2 Einträge

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 Einträge

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).

Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Isolation and Evacuation · 2 Einträge

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Immediate precautionary measure