2-(アミノスルホニル)安息香酸

2-Sulfamoylbenzoic acid

HCID 69436CAS 37558-01-3

部分構造検索類似構造を探す

基本情報

標準SMILES: NS(=O)(=O)c1ccccc1C(=O)O
InChIKey: KDNIOKSLVIGAAN-UHFFFAOYSA-N
分子式: C7H7NO4S
平均分子量: 201.2 g/mol
単同位体質量: 201.00957888

名称と識別子

優先名称: 2-Sulfamoylbenzoic acid
IUPAC: 2-sulfamoylbenzoic acid
現地名: 2-(アミノスルホニル)安息香酸
英語名: 2-Carboxy phenylsulfamide
分子式: C7H7NO4S
分子量: 201.2

名称と別名

2-Sulfamoylbenzoic acid632-24-6o-Sulfamoylbenzoic acidBenzoic acid, 2-(aminosulfonyl)-KBN32FEG3Z2-CARBOXYBENZENESULFONAMIDENSC-22975DTXSID50903017o-sulphamoylbenzoic acidRefChem:910263ortho-sulfamoylbenzoic acidDTXCID40853799

名称をさらに表示

o-スルファモイル安息香酸2-スルファモイル安息香酸2-(アミノスルホニル)安息香酸O-sulfonamide benzoic acid2-Sulphamoylbenzoic acid 95%CHEMBRDG-BB 4010962RARECHEM AL BO 14812-Sulfamidobenzoic acidBenzoicacid,o-sulfamoyl-

211-174-42-(Aminosulfonyl)benzoic acid2-Carboxy phenylsulfamideBenzoic acid, o-sulfamoyl-2-Sulphamoylbenzoic acidMFCD001277042-(sulfamoylamino)benzoic acido-sulfonamidobenzoic acid

データベース識別子

CAS: 37558-01-3、632-24-6
PubChem CID: 69436
DTXSID: DTXSID50903017
UNII: KBN32FEG3Z
EC Number: 211-174-4
Nikkaji: J134.708J

物性

構造計算による物性

XLogP: -0.4
極性表面積: 106 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 13
形式電荷: 0
複雑度: 292

物理化学的性質

融点: 154 · 154-156 °C
沸点: 454.8 · 454.8±47.0 °C(Predicted)
比重(密度): 1.536 · 1.536±0.06 g/cm3(Predicted)
貯蔵温度: Store at room temperature
溶解性: DMSO (Silghtly), Methanol (Slightly)
外見: solid
酸解離定数(Pka): 3.13 · 3.13±0.36(Predicted)
色: Beige

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 2 reports by companies from 2 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

Regulatory InformationCommission Regulation (EU) No 188/2011

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

法規制情報

Regulatory InformationCommission Regulation (EU) No 188/2011

安全データ

hs_code: 2935909099
risk_code: 36
hazard_code: Xi
safety_code: 26

化学と産業

用途と製造

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

General Manufacturing InformationBenzoic acid, 2-(aminosulfonyl)-, sodium salt (1:1): INACTIVE

上流・下流製品情報

上流原料

o-トルエンスルホンアミド

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