CAS 570-23-0 3-Aminosalicylic acid (HCID 68443)

名称と識別子

優先名称: 3-Aminosalicylic acid
IUPAC: 3-amino-2-hydroxybenzoic acid
現地名: 3-アミノサリチル酸
英語名: 3-Aminosalicylic acid
分子式: C7H7NO3
分子量: 153.14

名称と別名

3-Aminosalicylic acid3-Amino-2-hydroxybenzoic acidSalicylic acid, 3-amino-WN7T1GM9RMEINECS 209-328-0UNII-WN7T1GM9RMNSC 285111NSC-285111MESALAZINE IMPURITY F [EP IMPURITY]DTXSID908622153-AMINOSALICYLIC ACID [USP IMPURITY]MESALAZINE IMPURITY F (EP IMPURITY)

名称をさらに表示

3-アミノサリチル酸3-アミノ-2-ヒドロキシ安息香酸2-ヒドロキシ-3-アミノ安息香酸3‐アミノサリチル酸TIMTEC-BB SBB001895Mesalazine Impurity FMesalaMine IMpurity FMesalazine Impurity 6Mesalazine EP IMpurity FMesalamine EP Impurity F3-AMINOSALICYLIC ACID 98%

3-AMINOSALICYLIC ACID (USP IMPURITY)RefChem:93008DTXCID00811012Salicylic acid, 3-amino-(8CI)209-328-0InChI=1/C7H7NO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,8H2,(H,10,11IQGMRVWUTCYCST-UHFFFAOYSA-N570-23-0

データベース識別子

CAS: 570-23-0
PubChem CID: 68443
DTXSID: DTXSID90862215
ChEMBL: CHEMBL1650630
ChEBI: CHEBI:89327
UNII: WN7T1GM9RM
EC Number: 209-328-0
Nikkaji: J26.980H

物性

構造計算による物性

XLogP: 0.9
極性表面積: 83.6 Å²
水素結合供与体数: 3
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: 160

実験および物理化学的性質

Physical DescriptionSolid

Collision Cross Section122.07 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

物理化学的性質

融点: 240 °C · 240 °C (dec.) (lit.)
沸点: 276.03 °C · 276.03°C (rough estimate)
比重(密度): 1.3585 · 1.3585 (rough estimate)
屈折率: 1.55 · 1.5500 (estimate)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: DMSO（微量）、メタノール（微量、加温）
外見: 粉
酸解離定数(Pka): 2.13 · 2.13±0.10(Predicted)
色: 黄褐色から茶色
水溶解度: 水にわずかに溶ける
BRN: 2090427 · 2090427
安定性: 吸湿性
主な用途: ペプチド合成
InChI: 1S/C7H7NO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,8H2,(H,10,11)
InChIKey: IQGMRVWUTCYCST-UHFFFAOYSA-N
SMILES: Nc1cccc(C(O)=O)c1O
CAS データベース: 570 · 570-23-0(CAS DataBase Reference)
NISTの化学物質情報: 3 · 3-Aminosalicylic acid(570-23-0)

化学的性質

化学的特性light grey-green to dark beige powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)；Eye Irrit. 2 (97.9%)；STOT SE 3 (95.8%)

安全データ

F: 10
wgk: 3
hs_code: 29225090
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用3-Aminosalicylic acid acts as an oxygen, nitrogen donor ligand and forms complexes with silver.

上流・下流製品情報

下流製品

Benzoic acid, 2-[[1-amino-7-[[4-[[6-amino-5-[(3-carboxy-4-hydroxyphenyl)azo]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-2-methoxyphenyl]azo]-8-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-5-[[6-amino-5-[(3-carboxy-4-hydroxyphenyl)azo]-1-hydroxy-3-sul Benzoic acid, 2-hydroxy-3(or 5)-[[4-[(1-hydroxy-5-sulfo-2-naphthalenyl)azo]-1-naphthalenyl]azo]-, disodium salt SOLOCHROME BLACK F C.I. Mordant Black 50 C.I. Direct Orange 104 Benzoic acid, 3-[[4-[(1,8-dihydroxy-4-sulfo-2-naphthalenyl)azo]-1-naphthalenyl]azo]-2(or 6)-hydroxy-, disodium salt DIRECT BLACK 51 2-メチル-1,3-ベンズオキサゾール-7-カルボン酸 (2-Methylbenzoxazol-7-yl)methanol

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化合物ノート

読み込み中…

3-アミノサリチル酸

基本情報