3-Aminobenzenesulfonic acid

HCID 8474CAS 121-47-1

部分構造検索類似構造を探す

基本情報

標準SMILES: Nc1cccc(S(=O)(=O)O)c1
InChIKey: ZAJAQTYSTDTMCU-UHFFFAOYSA-N
分子式: C6H7NO3S
平均分子量: 173.19 g/mol
単同位体質量: 173.01466408

概要

3-aminobenzene sulfonic acid appears as white powder. Small colorless needles; toxic.

名称と識別子

優先名称: 3-Aminobenzenesulfonic acid
IUPAC: 3-aminobenzenesulfonic acid

名称と別名

Metanilic acid3-AMINOBENZENESULFONIC ACID121-47-1m-Aminobenzenesulfonic acidm-Sulfanilic acidBenzenesulfonic acid, 3-amino-m-Anilinesulfonic acid1-Aminobenzene-3-sulfonic acidKyselina metanilovaAniline-m-sulfonic acid3-AMINOBENZENE SULFONIC ACIDDTXSID6024462

名称をさらに表示

OT03NUM20PNSC-4504DTXCID804462CHEBI:27764RefChem:811221204-473-63-Aminobenzenesulphonic acid3-Amino-benzenesulfonic acid

データベース識別子

CAS: 121-47-1
PubChem CID: 8474
DTXSID: DTXSID6024462
ChEMBL: CHEMBL1456811
ChEBI: CHEBI:27764
UNII: OT03NUM20P
EC Number: 204-473-6
Nikkaji: J2.487B

物性

構造計算による物性

XLogP: -0.2
極性表面積: 88.8 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 218

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Aminobenzenesulfonic Acids

Density1.69 (NTP, 1992) - Denser than water; will sink

Solubilityless than 1 mg/mL at 72 °F (NTP, 1992)

Melting PointDecomposes without melting (NTP, 1992)

Vapor Pressure0.0000002 [mmHg]

Physical Description · 2 件

3-aminobenzene sulfonic acid appears as white powder. Small colorless needles; toxic.

Colorless or white solid; [CAMEO] Light brown powder; [Sigma-Aldrich MSDS]

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzenesulfonic acid, 3-amino-

Benzenesulfonic acid, 3-amino- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, 3-amino- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 14-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/19037

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 · 1 件

Increased water consumption (males) and decreased urinary pH (both sexes) observed in 28-day oral study of rats at the highest tested dose (1,000 mg/kg/day); [JECDB] A mild eye irritant; [RTECS] A skin and mucous membrane irritant; [NTP] An eye irritant; Harmful by ingestion, inhalation, and skin absorption; [Sigma-Aldrich MSDS]

Reactive GroupAmines, Phosphines, and Pyridines

安全と保護具

Fire FightingFires involving this compound can be extinguished 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 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)