3-Amino-4-hydroxybenzenesulfonic acid

HCID 7385CAS 98-37-3

部分構造検索類似構造を探す

基本情報

標準SMILES: Nc1cc(S(=O)(=O)O)ccc1O
InChIKey: ULUIMLJNTCECJU-UHFFFAOYSA-N
分子式: C6H7NO4S
平均分子量: 189.19 g/mol
単同位体質量: 189.0095787

概要

Rhombic brown crystals. (NTP, 1992)

名称と識別子

優先名称: 3-Amino-4-hydroxybenzenesulfonic acid
IUPAC: 3-amino-4-hydroxybenzenesulfonic acid

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: -0.1
極性表面積: 109 Å²
水素結合供与体数: 3
水素結合受容体数: 5
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 245

実験および物理化学的性質

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 件

Rhombic brown crystals. (NTP, 1992)

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

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 2 件

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

安全と保護具

Fire FightingFires involving this compound can be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

First Aid · 1 件

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 件

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 件

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)