Basic information
- CAS
31212-28-9- Standard SMILES
O=[N+]([O-])c1ccccc1S(=O)(=O)O- InChIKey
HWTDMFJYBAURQR-UHFFFAOYSA-N- Molecular formula
- C6H5NO5S
- Average molar mass
- 203.17 g/mol
- Monoisotopic mass
- 202.98884326
Overview
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.
Names & identifiers
- Preferred name
- 2-Nitrobenzenesulphonic acid
- IUPAC
- 2-nitrobenzenesulfonic acid
- English name
- 2-Nitrobenzenesulfonic acid
- Molecular formula
- C6H5NO5S
- Molecular weight
- 203.17
Names & synonyms
2-NITROBENZENESULFONIC ACID80-82-031212-28-9Benzenesulfonic acid, 2-nitro-2-Nitrobenzenesulphonic acidNitrobenzenesulphonic acidCCRIS 3130Nitrobenzenesulfonic acidEINECS 201-311-6DTXSID601033533RefChem:477195DTXCID7038315
Show more names
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
Database identifiers
- CAS
31212-28-9、80-82-0- PubChem CID
- 6664
- DTXSID
DTXSID601033533- UNII
- 369V94Y7E9
- EC Number
- 201-311-6
- Nikkaji
- J30.517K、J877.309B
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 287
Experimental & physicochemical properties
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.
Physicochemical properties
- Density
- 1.637 · 1.637
- pka
- -1.43 · -1.43±0.18(Predicted)
- form
- powder to crystal
- color
- Light orange to Yellow to Green
- CAS DataBase Reference
- 80 · 80-82-0(CAS DataBase Reference)
- Risk Statements
- 34 · 34-41
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 2305 · UN 2305
- HS Code
- 2904.99 · 2904.99.4700
- HazardClass
- 8 · 8
- PackingGroup
- II
Safety & regulation
GHS classification
GHS Classification
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.
Hazard information
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
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· Combustible material: may burn but does not ignite readily.
Health Hazards
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
Reactivity AlertsStrong Oxidizing Agent
Reactivity ProfileSelf-reactive. NITROBENZENESULFONIC ACID is known to decompose violently at about 200 °C [MCA Case History 1482. 1968].
DOT Hazard Classification
Nitrobenzenesulfonic acid
UN2305
Class 8 Corrosive material (49 eCFR § 173.136)
PG II: the degree of danger presented by the material is medium
Air and Water ReactionsIt will form a corrosive solution in water. When diluted with water generates considerable heat.
Hazard Classes and Categories
Not Classified
Corrosives
Safety & protection
Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Accidental Release Measures
· 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
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
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Emergency Response Planning GuidelinesSmall Fire
Safety data
- ridadr
- UN 2305
- hs_code
- 2904.99.4700
- risk_code
- 34-41
- safety_code
- 26-36/37/39
- hazard_class
- 8
- packing_group
- II
Chemistry & industry
Applications
UsesUsed as an intermediates.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers2 total
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
3 records
Compound notes
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