4,4'-ジアミノスチルベン-2,2'-ジスルホン酸
Diaminostilbenedisulfonic acid
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基本情報
- CAS
81-11-8- 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
- 現地名
- 4,4'-ジアミノスチルベン-2,2'-ジスルホン酸
- 英語名
- 4,4'-Diamino-2,2'-stilbenedisulfonic acid
- 分子式
- C14H14N2O6S2
- 分子量
- 370.4
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
4,4'-ジアミノスチルベン-2,2'-ジスルホン酸アムソン酸4,4'-ジアミノ-2,2'-スチルベンジスルホン酸4,4'-ジアミノ-2,2'-ジスルホスチルベン2,2'-(エテン-1,2-ジイル)ビス(5-アミノベンゼンスルホン酸)2,2'-(1,2-エテンジイル)ビス(5-アミノベンゼンスルホン酸)フラボン酸2,2'-ビニレンビス(5-アミノベンゼンスルホン酸)2,2'-(1,2-エテンジイル)ビス[5-アミノベンゼンスルホン酸]4,4'-ジアミノスチルベン-2,2'-ジスルホネート4，4’ジアミノスチルベン2，2’ジスルホン酸4,4′-ジアミノスチルベン-2,2′-ジスルホン酸4，4’-ジアミノスチルベン-2，2’-ジスルホン酸4,4′‐ジアミノスチルベン‐2,2′‐ジスルホン酸4,4′-ジアミノスチルベン-2,2′-ジスルホネート2,2′-ビニレンビス(5-アミノベンゼンスルホン酸)2,2′-(エテン-1,2-ジイル)ビス(5-アミノベンゼンスルホン酸)5-アミノ-2-[2-(4-アミノ-2-スルホフェニル)エテニル]ベンゼン-1-スルホン酸
物性
構造計算による物性補完中
- 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
- 形式電荷
- 0
- 複雑度
- 606
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Aminobenzoic Acids
LogP-1.7
Color/FormYELLOW NEEDLES
Solubility
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)
Physical Description
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)
Dry Powder; Large Crystals; Liquid
Yellow solid; [Merck Index]
Other Experimental PropertiesFORMS SPARINGLY WATER SOL CRYSTALLINE SALTS WITH MANY BISQUATERNARY AMMONIUM BASES
物理化学的性質
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
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
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
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
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]
化学と産業
用途と製造
Uses
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
(1977) No Data
(1979) No Data
U.S. Imports
(1977) 4.74X10+8 GRAMS (PRINCPL CUSTMS DISTS)
(1979) 4.42X10+8 GRAMS (PRINCPL CUSTMS DISTS)
U.S. Production
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
Methods of Manufacturing
CATALYTIC REDUCTION OF 4,4'-DINITRO-2,2'-STILBENEDISULFONIC ACID
BENDER, SCHULTZ, BER 19, 3234 (1886); HE FIERZ-DAVID, L BLANGEY, GRUNDLEGENDE OPERATONEN DER FARBENCHEMIE (SPRINGER-VERLAG, VIENNA, 7TH ED, 1947) P 161; SPIEGLER, US PATENT 2,784,220 (1957 TO DUPONT).
BOILING SODIUM SALT OF PARA-NITROTOLUENE-ORTHO-SULFONATE IN WATER WITH CAUSTIC SODA & REDN WITH ZINC DUST.
Household ProductsInformation on 13 consumer products that contain Diaminostilbenedisulfonic acid in the following categories is provided:
General Manufacturing Information
Paper Manufacturing
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-amino-: ACTIVE
応用分野
関連反応
7 件
化合物ノート
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