基本情報
- CAS
7336-20-1- 標準SMILES
Nc1ccc(C=Cc2ccc(N)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]- InChIKey
YAKFHPREDNNSFX-UHFFFAOYSA-L- 分子式
- C14H12N2Na2O6S2
- 平均分子量
- 414.4 g/mol
- 単同位体質量
- 413.99321666
概要
4,4'-diamino-2,2'-stilbenedisulfonic acid, disodium salt appears as odorless light yellow crystals or powder. (NTP, 1992)
名称と識別子
- 優先名称
- 4,4'-diamino-2,2'-stilbenedisulfonic acid, disodium salt
- IUPAC
- disodium;5-amino-2-[2-(4-amino-2-sulfonatophenyl)ethenyl]benzenesulfonate
名称と別名
DTXSID2020397RefChem:506600DTXCID20397FLAVONIC ACID, DISODIUM SALTDISODIUM 4,4'-DIAMINOSTILBENE-2,2'DISULFONATEDISODIUM 4,4'-DIAMINO-2,2'-STILBENEDISULFONATE4,4'-Diamino-2,2'-Stilbenedisulfonic Acid Disodium SaltDISODIUM 4,4'-DIAMINO-2,2'-STILBENEDISULFONIC ACID2,2'-(1,2-ETHENEDIYL)BIS(5-AMINOBENZENESULFONIC ACID), DISODIUM SALT4,4'-diamino-2,2'-stilbenedisulfonic acid, disodium saltSodium 4,4'-Diaminostilbene-2,2'-disulfonatedisodium 4,4'-diaminostilbene-2,2'-disulfonate
名称をさらに表示
SCHEMBL6023044,4'-diaminostilbene-2,2'-disulfonic acid disodium saltSCHEMBL29692691sodium 4,4'-diaminostilbene-2,2'disulphonateDisodium 2,2'-(ethene-1,2-diyl)bis(5-aminobenzene-1-sulfonate)
データベース識別子
- CAS
7336-20-1- PubChem CID
- 2837473
- DTXSID
DTXSID2020397
物性
構造計算による物性
- 極性表面積
- 183 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 8
- 回転可能結合数
- 2
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 580
実験および物理化学的性質
Solubilitygreater than or equal to 100 mg/mL at 66 °F (NTP, 1992)
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Pointgreater than 572 °F (NTP, 1992)
Physical Description4,4'-diamino-2,2'-stilbenedisulfonic acid, disodium salt appears as odorless light yellow crystals or powder. (NTP, 1992)
安全と法規制
危険有害性情報
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Exposure to this compound may cause eye irritation.
Reactive GroupHydrocarbons, Aliphatic Unsaturated
Reactivity ProfileThis compound is sensitive to iron. (NTP, 1992).
Air and Water ReactionsWater soluble.
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
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
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)
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
Carcinogen Classification
4,4'-Diamino-2,2'-Stilbenedisulfonic Acid, Disodium Salt
TR-412: Toxicology and Carcinogenesis Studies of 4,4'-Diamino-2,2'-Stilbenedisulfonic Acid Disodium Salt (CASRN 7336-20-1) in F344 Rats and B6C3F1 Mice (Feed Studies) (1992 )
07/09/91
No Evidence
No Evidence
No Evidence
関連反応
3 件
化合物ノート
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