4-アミノ-2,1,3-ベンゾチアジアゾール

2,1,3-Benzothiadiazol-4-amine

HCID 69845CAS 767-64-6

部分構造検索類似構造を探す

基本情報

標準SMILES: Nc1cccc2nsnc12
InChIKey: DRLGIZIAMHIQHL-UHFFFAOYSA-N
分子式: C6H5N3S
平均分子量: 151.19 g/mol
単同位体質量: 151.02041835

名称と識別子

優先名称: 2,1,3-Benzothiadiazol-4-amine
IUPAC: 2,1,3-benzothiadiazol-4-amine
現地名: 4-アミノ-2,1,3-ベンゾチアジアゾール
英語名: 4-Aminobenzo-2,1,3-thiadiazole
分子式: C6H5N3S
分子量: 151.19

名称と別名

2,1,3-Benzothiadiazol-4-amine767-64-64-Aminobenzo-2,1,3-thiadiazole4-Amino-2,1,3-benzothiadiazole2,1,3-Benzothiadiazole, 4-amino-NSC-73013N93ZR5H5L1DTXSID60227498RefChem:97834DTXCID60149989212-186-2Benzo[c][1,2,5]thiadiazol-4-amine

名称をさらに表示

4-アミノ-2,1,3-ベンゾチアジアゾール2,1,3-ベンゾチアジアゾール-7-アミン2,1,3-ベンゾチアジアゾール-4-アミン4-アミノピアズチオールAI3-60012NSC 7301322726-33-6BRN 0003551AKOS BC-0685MLS000762975NCI60_041592SMR000438262

4-AminopiazthioleMFCD00005810Benzo[1,2,5]thiadiazol-4-ylamine7-Amino-2,1,3-benzothiadiazole2,1,3-Benzothiadiazol-4-ylamine2,1,3-Benzothiadiazole, 7-amino-NSC730132lambda4,1,3-benzothiadiazol-4-amine

データベース識別子

CAS: 767-64-6
PubChem CID: 69845
DTXSID: DTXSID60227498
ChEMBL: CHEMBL1447590
UNII: N93ZR5H5L1
EC Number: 212-186-2
Nikkaji: J3.665.764B、J41.983D

物性

構造計算による物性

XLogP: 1.1
極性表面積: 80 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 130

物理化学的性質

融点: 67 · 67-69 °C (lit.)
沸点: 303 · 303.0±15.0 °C(Predicted)
比重(密度): 1.485 · 1.485±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: powder to crystal
酸解離定数(Pka): 0.81 · 0.81±0.10(Predicted)
色: Light yellow to Amber to Dark green
水溶解度: 水に不溶。
BRN: 3551 · 3551
InChI: InChI=1S/C6H5N3S/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,7H2
InChIKey: DRLGIZIAMHIQHL-UHFFFAOYSA-N
SMILES: N1=C2C=CC=C(N)C2=NS1
CAS データベース: 767 · 767-64-6(CAS DataBase Reference)
NISTの化学物質情報: 4 · 4-Amino-2,1,3-benzothiadiazole(767-64-6)

化学的性質

化学的特性white to light yellow crystal powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (98.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 74 reports by companies from 4 notifications to the ECHA C&L Inventory.；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 CategoriesAcute Tox. 4 (98.6%)

安全データ

wgk: 3
rtecs: DK9950000
ridadr: 2811
hs_code: 2934.99.4400
risk_code: 22-36/37/38-20/21/22
hazard_code: Xn,Xi
safety_code: 22-26-36/37/39
hazard_class: IRRITANT
packing_group: III

化学と産業

応用分野 · 2 件

使用4-Aminobenzo-2,1,3-thiadiazole is used in a study to synthesize and evaluate the inhibitory activity of a series of substituted benzimidazoles and small benzothiadiazoles on rat liver methionine synthase. It was used as potential levelers for Cu plating in submicrometer trenches.

一般的な説明4-Amino-2,1,3-benzothiadiazole is a gold green to yellow brown powder. It undergoes palladium catalyzed C-N coupling with 2-(2′-bromo-9′,9′-diethylfluoren-7′-yl)-9,9-diethylfluorene to form novel fluorescent dyes. 4-Amino-2,1,3-benzothiadiazole forms dicopper complexes.