2-Aminobenzenesulfonic acid
Basic information
- CAS
88-21-1- Standard SMILES
Nc1ccccc1S(=O)(=O)O- InChIKey
ZMCHBSMFKQYNKA-UHFFFAOYSA-N- Molecular formula
- C6H7NO3S
- Average molar mass
- 173.19 g/mol
- Monoisotopic mass
- 173.01466426
Overview
2-aminobenzene sulfonic acid is a light brown powder. (NTP, 1992)
Names & identifiers
- Preferred name
- 2-Aminobenzenesulfonic acid
- IUPAC
- 2-aminobenzenesulfonic acid
- English name
- Aniline-2-sulfonic acid
- Molecular formula
- C6H7NO3S
- Molecular weight
- 173.19
Names & synonyms
2-Aminobenzenesulfonic acid88-21-1Orthanilic acido-Aminobenzenesulfonic acido-Sulfanilic acidAniline-o-sulfonic acid2-Sulfanilic acidAniline-o-sulphonic acid1-Aminobenzene-2-sulfonic acido-Aminophenylsulfonic acidBenzenesulfonic acid, o-amino-DTXSID1024463
Show more names
SULPHANILIC ACID2-aminobenzenesulfonateo-SulfanilicSulfoaniline2-SULFOANILINEAniline-2-sulfOrthoanilicacid2-sulfanilicacid
ZB9JSA4BH0NSC-147CHEBI:1015DTXCID2044632-Aminobenzene sulfonic acidortho-sulfanilic acidRefChem:856931201-810-9
Database identifiers
- CAS
88-21-1- PubChem CID
- 6926
- DTXSID
DTXSID1024463- ChEMBL
CHEMBL1372690- ChEBI
CHEBI:1015- UNII
- ZB9JSA4BH0
- EC Number
- 201-810-9
- Nikkaji
- J4.290K
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 218
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Aminobenzenesulfonic Acids
Solubility10 to 50 mg/mL at 72 °F (NTP, 1992)
Melting Point617 °F (decomposes) (NTP, 1992)
Physical Description
2-aminobenzene sulfonic acid is a light brown powder. (NTP, 1992)
Solid; [Merck Index] Light brown solid; [CAMEO]
Collision Cross Section
153.23 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]
130.5 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
131.9 Ų [M-H]-
Physicochemical properties
- Melting point
- 300 °C · 300 °C
- Boiling point
- 363.26 ℃[at · 363.26℃[at 101 325 Pa]
- Density
- 1.342 · 1.342 (estimate)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- 3.565 g/L · 3.565g/L in organic solvents at 20 ℃
- form
- Crystalline Powder
- pka
- 2.48 · 2.48(at 25℃)
- color
- White to beige
- Water Solubility
- sparingly soluble
- Merck
- 14 · 14,6882
- BRN
- 1309204 · 1309204
- InChI
- 1S/C6H7NO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
- InChIKey
- ZMCHBSMFKQYNKA-UHFFFAOYSA-N
- SMILES
- Nc1ccccc1S(O)(=O)=O
- LogP
- 0 at · 0 at 23℃
- CAS DataBase Reference
- 88 · 88-21-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1-2
- FDA UNII
- 9 JSA4BH0 · ZB9JSA4BH0
- NIST Chemistry Reference
- Aniline-o-sulfonic acid(88-21-1)
- EPA Substance Registry System
- o-Aminobenzenesulfonic acid (88-21-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45-28A
- RIDADR
- 2585 · UN 2585 8/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 4727700 · DB4727700
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29214200 · 29214200
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.4% (2 of 84) of reports.
Danger
H314 (78.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 84 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 2-aminobenzenesulphonic acid (EC: 201-810-9)
DOT LabelCorrosive
Fire HazardsFlash point data for this chemical are not available, however it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin and mucous membranes.
Hazards Summary
May cause skin and mucous membrane irritation; [NTP] Causes burns; May cause skin sensitization; [ECHA REACH Registrations] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; [Sigma-Aldrich MSDS] See Aniline hemisulfate
Reactive GroupAcids, Weak
Reactivity Profile2-AMINOBENZENE SULFONIC ACID is an amino acid. Reacts weakly with both acids and bases.
Air and Water ReactionsSoluble in water.
Hazard Classes and CategoriesSkin Corr. 1B (78.6%)
Safety & protection
Fire FightingFires involving this compound can be extinguished using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DB4727700
- ridadr
- UN 2585 8/PG 3
- hs_code
- 29214200
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45-28A
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- REACH Registrations
- Active
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Uses & manufacturing
UsesUsed in organic synthesis and to make dyes and pharmaceuticals; [NTP] Used to make dyes and fine chemicals; [ECHA REACH Registrations]
General Manufacturing InformationBenzenesulfonic acid, 2-amino-: ACTIVE
Applications
UsesAniline-2-sulfonic acid is used as an intermediate for reactive dyes, in the reaction of Brilliant Red K-4BC, as well as Brilliant Red K-2B, Brilliant Red K-2BP, Brilliant Red K-2G, Brilliant Red M-2B, Brilliant Red XB, Brilliant Red X-10B, Reactive Violet K-3R, etc.
General DescriptionLight brown powder.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: An aminobenzenesulfonic acid carrying an amino group at position 2.
Related reactions
23 records
Compound notes
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