3-Amino-4-hydroxybenzenesulfonic acid

HCID 7385

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Basic information

CAS: 98-37-3
Standard SMILES: Nc1cc(S(=O)(=O)O)ccc1O
InChIKey: ULUIMLJNTCECJU-UHFFFAOYSA-N
Molecular formula: C6H7NO4S
Average molar mass: 189.19 g/mol
Monoisotopic mass: 189.0095787

Overview

Rhombic brown crystals. (NTP, 1992)

Names & identifiers

Preferred name: 3-Amino-4-hydroxybenzenesulfonic acid
IUPAC: 3-amino-4-hydroxybenzenesulfonic acid

Names & synonyms

3-Amino-4-hydroxybenzenesulfonic acid98-37-32-AMINOPHENOL-4-SULFONIC ACID4-Hydroxymetanilic acid2-Amino-1-phenol-4-sulfonic acid2-Amino-4-sulfophenolBenzenesulfonic acid, 3-amino-4-hydroxy-o-Aminophenol-p-sulfonic acid2-Hydroxy-5-sulfoaniline4-Hydroxy-3-aminobenzenesulfonic acidCCRIS 4584EINECS 202-662-8

Show more names

DTXSID5024500AI3-14898DTXCID404500EC 202-662-81-AMINO-2-HYDROXY-5-BENZENESULFONIC ACID2Amino4sulfophenol2Hydroxy5sulfoaniline4Hydroxymetanilic acid

Database identifiers

CAS: 98-37-3
PubChem CID: 7385
DTXSID: DTXSID5024500
ChEMBL: CHEMBL1455467
UNII: 4WE7CX7RD5
EC Number: 202-662-8
Nikkaji: J76.375F

Properties

Computed structural propertiesFilling in

XLogP: -0.1
Topological polar surface area: 109 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 245

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Aminobenzenesulfonic Acids

Solubilityless than 1 mg/mL at 70.7 °F (NTP, 1992)

Melting Pointgreater than 572 °F (decomposes) (NTP, 1992)

Physical Description · 2 items

Rhombic brown crystals. (NTP, 1992)

Brown solid; [CAMEO] Dark brown crystalline solid; [Sigma-Aldrich MSDS]

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 13.8% (9 of 65) of reports.

Danger

H314 (69.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 65 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Benzenesulfonic acid, 3-amino-4-hydroxy-

Status: Active Update: 14-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/10421

DOT LabelCorrosive

Fire HazardsFlash point data for this chemical is not available, however it is probably combustible. (NTP, 1992)

Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and mucous membranes.

Hazards SummaryAn irritant; [NTP] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS] See Sulfanilic acid.

Reactive GroupAcids, Weak

Safety & protection

Fire FightingFires involving this compound can be controlled 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.

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.

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

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)