基本情報
- CAS
3577-63-7- 標準SMILES
Nc1ccc(S(=O)(=O)O)cc1C(=O)O- InChIKey
MJNYPLCGWXFYPD-UHFFFAOYSA-N- 分子式
- C7H7NO5S
- 平均分子量
- 217.2 g/mol
- 単同位体質量
- 217.0044935
概要
5-sulfoanthranilic acid is an off-pink powder. (NTP, 1992)
名称と識別子
- 優先名称
- 5-Sulfoanthranilic acid
- IUPAC
- 2-amino-5-sulfobenzoic acid
- 現地名
- 2-アミノ-5-スルホ安息香酸
- 英語名
- 5-Sulfoanthranilic acid
- 分子式
- C7H7NO5S
- 分子量
- 217.2
名称と別名
3577-63-75-SULFOANTHRANILIC ACIDBenzoic acid, 2-amino-5-sulfo-EINECS 222-697-2EC 222-697-24-Amino-3-carboxybenzenesulfonic acidDTXSID20260704-Sulfo-2-carboxyanilineAnthranilic acid, 5-sulfo-RefChem:103436DTXCID7060702-Amino-5-sulfobenzoic acid
名称をさらに表示
5-スルホアントラニル酸2-アミノ-5-スルホ安息香酸2-アミノ-5-スルホ安息香酸標準品5-Sulfoanthranilic a5-Sulfoo-aminobenzoicacid2-amino-5-sulfo-benzoicaci5-Sulfoanthranilic Acid >Benzoic acid,2-aMino-5-sulfo-
5-Sulphoanthranilic acidMFCD000357632-Amino-5-sulfobenzoicacid2-amino-5-sulphobenzoic acidSCHEMBL3426002-azanyl-5-sulfo-benzoic acid2-amino-5-sulfo-benzoic acid2-Carboxy-4-sulfoaniline
データベース識別子
- CAS
3577-63-7- PubChem CID
- 19151
- DTXSID
DTXSID2026070- EC Number
- 222-697-2
- Nikkaji
- J8.171J
物性
構造計算による物性
- XLogP
- -0.3
- 極性表面積
- 126 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 6
- 回転可能結合数
- 2
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 319
実験および物理化学的性質
Solubility10 to 50 mg/mL at 68.9 °F (NTP, 1992)
Physical Description5-sulfoanthranilic acid is an off-pink powder. (NTP, 1992)
物理化学的性質
- 融点
- 317 °C · 317 °C
- 比重(密度)
- 1.709 · 1.709±0.06 g/cm3(Predicted)
- 貯蔵温度
- 2 · 2-8°C
- 外見
- powder to crystal
- 酸解離定数(Pka)
- -1.59 · -1.59±0.50(Predicted)
- 色
- White to Light yellow to Light orange
- InChI
- InChI=1S/C7H7NO5S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3H,8H2,(H,9,10)(H,11,12,13)
- InChIKey
- MJNYPLCGWXFYPD-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC(S(O)(=O)=O)=CC=C1N
- CAS データベース
- 3577 · 3577-63-7(CAS DataBase Reference)
- EPAの化学物質情報
- 5 · 5-Sulfoanthranilic acid (3577-63-7)
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 40% (2 of 5) of reports.
Warning
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationREACH registered substance: 5-sulphoanthranilic acid (EC: 222-697-2)
Fire HazardsFlash point data for this material are not available, but it is probably combustible. (NTP, 1992)
Reactive GroupAcids, Carboxylic
Reactivity Profile5-SULFOANTHRANILIC ACID is an amino acid.
Air and Water ReactionsSoluble in hot water [Hawley]. Unstable to prolonged exposure to air (NTP, 1992).
Hazard Classes and CategoriesAcute Tox. 4 (20%)
安全と保護具
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (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.
化学と産業
用途と製造
General Manufacturing InformationBenzoic acid, 2-amino-5-sulfo-: ACTIVE
応用分野
説明5-Sulfoanthranilic acid is produced from anthranilic acid by sulfonation with chlorosulfuric acid in anhydrous sulfuric acid or nitrobenzene or by baking the sulfate of anthranilic acid at 200 ℃. This compound is used, like its N-alkyl derivatives, as a stabilizer for diazo compounds.
一般的な説明Off-pink powder.
上流・下流製品情報
下流製品
サプライヤー93 社
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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化合物ノート
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