Diaminostilbenedisulfonic acid

HCID 6668CAS 81-11-8

基本情報

標準SMILES
Nc1ccc(C=Cc2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1
InChIKey
REJHVSOVQBJEBF-UHFFFAOYSA-N
分子式
C14H14N2O6S2
平均分子量
370.4 g/mol
単同位体質量
370.02932817

概要

4,4'-diamino-2,2'-stilbenedisulfonic acid appears as odorless yellowish microscopic needles or cream-colored powder. pH approximately 4.3 at 30 g/L water (suspension). (NTP, 1992)

名称と識別子

優先名称
Diaminostilbenedisulfonic acid
IUPAC
5-amino-2-[2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid

名称と別名

4,4'-DIAMINO-2,2'-STILBENEDISULFONIC ACIDAmsonic acidDTXSID5024926AmsonsaeureDiaminostilbenedisulfonic acidBenzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-amino-NCI-C60162DTXCID2049262,2'-(1,2-Ethylenediyl)bis(5-aminobenzenesulfonic acid)Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-amino-NSC-163899GJ5MP05
名称をさらに表示
DADSDASSARefChem:9200034,4'-diacetamido-2,2'-stilbene disulfonate201-325-22,2'-Disulfo-4,4'-stilbenediamine2,2'-Stilbenedisulfonic acid, 4,4'-diamino-4,4-diaminostilbene-2,2'-disulfonic acid

データベース識別子

CAS
81-11-8
PubChem CID
6668
DTXSID
DTXSID5024926
ChEMBL
CHEMBL3185470
EC Number
201-325-2

物性

構造計算による物性

XLogP
0.3
極性表面積
178 Ų
水素結合供与体数
4
水素結合受容体数
8
回転可能結合数
4
重原子数
24

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Aminobenzoic Acids
LogP-1.7
Color/FormYELLOW NEEDLES
Solubility · 3 件

less than 1 mg/mL at 73 °F (NTP, 1992)

VERY SLIGHTLY SOL IN WATER

SOL IN ALCOHOL & ETHER

Endocrine DisruptorsPotential endocrine disrupting compound
Melting Pointgreater than 617 °F (NTP, 1992)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 1% (2 of 210) of reports.

Warning

H302 (18.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 210 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-amino-

Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-amino- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-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: Cease Manufacture Update: 15-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30493

Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health Hazards · 1 件

SYMPTOMS: Symptoms of exposure to this compound include irritation, burning, reddening, tearing and possible swelling of the eyes, irritation of the respiratory tract, runny nose, sore throat, coughing, chest discomfort and shortness of breath. Persons with impaired pulmonary function or with preexisting eye conditions may be more susceptible to the effects of this compound.

Hazards Summary · 1 件

An eye and respiratory tract irritant; [CAMEO] There have been reports of decreased libido in male workers handling this chemical; [REPROTOX] An irritant; Effects in high-dose animal studies include abnormal liver and kidney function tests; [MSDSonline]

Reactive GroupHydrocarbons, Aliphatic Unsaturated
Reactivity Profile4,4'-DIAMINO-2,2'-STILBENEDISULFONIC ACID is incompatible with iron. It forms sparingly water-soluble, crystalline salts with many bisquaternary ammonium bases. (NTP, 1992)

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (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.

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)

毒性情報

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Ongoing Test Status · 1 件

The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. /4,4'-Diamino-2,2'-stilbenedisulfonic acid, disodium salt/ [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=7336-20-1]

Human Toxicity Excerpts · 2 件

RESULTS OF MEDICAL SURVEYS & STUDIES ON SAFETY OF FLUORESCENT WHITENING AGENTS (FWA'S) CONTAINING DIAMINOSTILBENE DISULFONATE WERE COMPILED & CRITICIZED. CONCLUSION THAT FWA'S ARE PRACTICALLY NONTOXIC.

HAZARD: TOXIC BY INGESTION.

Non-Human Toxicity Excerpts · 1 件

4,4'-Diamino-2,2'-stilbenedisulfonic acid was evaluated for mutagenicity in the Salmonella/microsome preincubation assay using a standard protocol approved by the National Toxicology Program. Doses of 0, 100, 333, 3333, 4000, 4500, and 5000 ug/plate were tested in four Salmonella typhimurium strains (TA98, TA100, TA1535, and TA1537) in the presence and absence of Aroclor-induced rat or hamster liver S9. These tests were negative and the highest ineffective dose level tested in any Salmonella tester strain was 5000 ug/plate.

化学と産業

用途と製造

Uses · 3 件

Used as a chemical intermediate for dyes, bleaching agents, and fluorescent brighteners; [HSDB]

IN MFR OF DYES, BLEACHING AGENTS

CHEM INT FOR DYES (EG, CI DIRECT YELLOW 12) & FLUORESCENT BRIGHTENERS

U.S. Exports · 2 件

(1977) No Data

(1979) No Data

U.S. Imports · 2 件

(1977) 4.74X10+8 GRAMS (PRINCPL CUSTMS DISTS)

(1979) 4.42X10+8 GRAMS (PRINCPL CUSTMS DISTS)

U.S. Production · 3 件

2023: 1,000,000 - <5,000,000 lb

(1977) PROBABLY GREATER THAN 9.08X10+6 GRAMS

(1979) PROBABLY GREATER THAN 6.81X10+6 GRAMS

Consumption PatternsESSENTIALLY 100% AS A CHEM INT
Industry UsesIntermediate

関連反応

7 件

関連ノート

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