2-Benzothiazolinone, hydrazone (HCID 11988)

名称と識別子

優先名称: 2-Benzothiazolinone, hydrazone
IUPAC: 1,3-benzothiazol-2-ylhydrazine
現地名: 2-ヒドラジノベンゾチアゾール
英語名: 2-Hydrazinobenzothiazole
分子式: C7H7N3S
分子量: 165.22

名称と別名

2-Hydrazinobenzothiazole615-21-42(3H)-Benzothiazolone, hydrazoneBenzothiazole, 2-hydrazino-2-Benzothiazolinone, hydrazoneJS4DO3CU7WDTXSID0060644RefChem:788712DTXCID50430532-Hydrazinylbenzo[d]thiazole2-Hydrazino-1,3-benzothiazoleBenzothiazolohydrazine

名称をさらに表示

2-ヒドラジノベンゾチアゾールベンゾチアゾール-2(3H)-オンヒドラゾンベンゾチアゾール-2-イルヒドラジン1-(2-ベンゾチアゾリル)ヒドラジン(ベンゾチアゾール-2-イル)ヒドラジン1-(ベンゾチアゾール-2-イル)ヒドラジン2-ベンゾチアゾリルヒドラジン2-ベンゾチアゾールヒドラゾン2-ベンゾチアゾールイルヒドラジン2‐ヒドラジノベンゾチアゾール(2-ベンゾチアゾリル)ヒドラジン2-ヒドラジニリデン-2,3-ジヒドロ-1,3-ベンゾチアゾール(1,3-ベンゾチアゾール-2-イル)ヒドラジン2 HzBTZ2-HzBTZAKOS B003351AKOS BC-3071IDO1 inhibitor 1IDO1-inhibitor-1AKOS BBS-00007373IFLAB-BB F0896-0067

Benzothiazol-2-ylhydrazine1,3-benzothiazol-2-ylhydrazineBenzothiazol-2-yl-hydrazineIDO1-IN-12-BENZOTHIAZOLYLHYDRAZINE2-hydrazinyl-1,3-benzothiazoleUSAF EK-3967MFCD00041849

データベース識別子

CAS: 615-21-4
PubChem CID: 11988
DTXSID: DTXSID0060644
ChEMBL: CHEMBL1933308
UNII: JS4DO3CU7W
EC Number: 210-416-6
Nikkaji: J41.952D

物性

構造計算による物性

XLogP: 1.8
極性表面積: 79.2 Å²
水素結合供与体数: 2
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: 142

物理化学的性質

融点: 198 · 198-202 °C (lit.)
沸点: 352.4 · 352.4±25.0 °C(Predicted)
比重(密度): 1.2404 · 1.2404 (rough estimate)
屈折率: 1.55 · 1.5500 (estimate)
貯蔵温度: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
溶解性: 熱メタノールへの溶解度はほぼ透明。
酸解離定数(Pka): 2.81 · 2.81±0.20(Predicted)
外見: powder to crystal
色: White to Light yellow to Light orange
InChI: InChI=1S/C7H7N3S/c8-10-7-9-5-3-1-2-4-6(5)11-7/h1-4H,8H2,(H,9,10)
InChIKey: JYSUYJCLUODSLN-UHFFFAOYSA-N
SMILES: S1C2=CC=CC=C2N=C1NN
CAS データベース: 615 · 615-21-4(CAS DataBase Reference)
EPAの化学物質情報: 2 · 2(3H)-Benzothiazolone, hydrazone (615-21-4)

化学的性質

化学的特性slightly yellow to beige-green crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (91.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 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 InformationChemical: 2(3H)-Benzothiazolone, hydrazone

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesAcute Tox. 3 (91.3%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: DL4725000
ridadr: UN 2811 6.1/PG 3
hs_code: 29342000
risk_code: 22-36/38
hazard_code: Xn,Xi
safety_code: 26-36
hazard_class: IRRITANT
packing_group: III
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

用途と製造

General Manufacturing InformationBenzothiazole, 2-hydrazinyl-: INACTIVE

応用分野

使用It is employed in the spectrophotometric analysis determination of methenamine and its salts. It is also used in the detection and repair mechanism of Etheno-DNA adducts.