2-Aminobenzenesulfonic acid

HCID 6926CAS 88-21-1

Basic information

Standard SMILES
Nc1ccccc1S(=O)(=O)O
InChIKey
ZMCHBSMFKQYNKA-UHFFFAOYSA-N
Molecular formula
C6H7NO3S
Average molar mass
173.19 g/mol
Monoisotopic mass
173.01466426

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

Experimental & physicochemical properties

Solubility10 to 50 mg/mL at 72 °F (NTP, 1992)
Melting Point617 °F (decomposes) (NTP, 1992)
Physical Description · 2 items

2-aminobenzene sulfonic acid is a light brown powder. (NTP, 1992)

Solid; [Merck Index] Light brown solid; [CAMEO]

Collision Cross Section · 3 items

153.23 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field];133.9 Ų [M-H]- [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)]

152.3 Ų [M+Na]+;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

Safety & regulation

GHS classification

GHS Classification · 6 items

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];H319 (20.2%): Causes serious eye irritation [Warning Serious eye damage/eye 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.;Reported as not meeting GHS hazard criteria per 2 of 84 reports by companies.;There are 6 notifications provided by 82 of 84 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationStatus: Cease Manufacture Update: 06-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10511;Status: Active Update: 26-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29603
DOT LabelCorrosive
Fire HazardsFlash point data for this chemical are not available, however it is probably combustible. (NTP, 1992)
Health Hazards · 1 item

SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin and mucous membranes.;ACUTE/CHRONIC HAZARDS: This compound may evolve toxic fumes on contact with acids or when heated to decomposition. It may be corrosive to tissues. (NTP, 1992)

Hazards Summary · 1 item

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;Amines, Aromatic

Safety & protection

Fire FightingFires involving this compound can be extinguished using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

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.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

Nonfire Spill Response · 1 item

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.;STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

Isolation and Evacuation · 1 item

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.;SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Personal Protective Equipment (PPE) · 1 item

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.;Skin Sensitizer - An agent that can induce an allergic reaction in the skin.

Regulatory information

Regulatory InformationStatus: Cease Manufacture Update: 06-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10511;Status: Active Update: 26-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29603

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

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 · 2 items

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.

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Additional notes

DefinitionChEBI: An aminobenzenesulfonic acid carrying an amino group at position 2.

Related reactions

23 records

Linked notes

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