2-メチル-5-ベンゾチアゾロール

2-Methyl-1,3-benzothiazol-5-ol

HCID 699799CAS 68867-14-1

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1nc2cc(O)ccc2s1
InChIKey: LAKVUPMDDFICNR-UHFFFAOYSA-N
分子式: C8H7NOS
平均分子量: 165.21 g/mol
単同位体質量: 165.02483502

名称と識別子

優先名称: 2-Methyl-1,3-benzothiazol-5-ol
IUPAC: 2-methyl-1,3-benzothiazol-5-ol
現地名: 2-メチル-5-ベンゾチアゾロール
英語名: 2-Methyl-5-benzothiazolol
分子式: C8H7NOS
分子量: 165.21

名称と別名

68867-14-12-methyl-1,3-benzothiazol-5-olDTXSID40351427RefChem:474760DTXCID80302493628-788-72-methylbenzo[d]thiazol-5-ol2-Methyl-5-benzothiazolol5-benzothiazolol, 2-methyl-MFCD001922762-METHYLBENZOTHIAZOL-5-OL5-Chloro-2-(2,4-dichlorophenoxy)-phenol-13C6 Acetate

名称をさらに表示

2-メチル-5-ベンゾチアゾロール2-メチルベンゾチアゾール-5-オール2-メチル-1,3-ベンゾチアゾール-5-オール2-メチルベンゾチアゾール-5-オール, 97%2-Methylbenzothiazol-5-ol,97%2-METHYL-5-BENZOTHIAZOLOL 97%5-HYDROXY-2-METHYLBENZOTHIAZOLE5-Benzothiazolol,2-methyl-(6CI,9CI)

5-Chloro-2-(2,4-dichlorophenoxy)-phenol-13C6 1-Acetate2-methyl-benzothiazol-5-ol2-methyl- benzothiazol-5-olSCHEMBL282023SCHEMBL20895422-methyl-5-hydroxybenzothiazoleCHEMBL4534520SCHEMBL30106441

データベース識別子

CAS: 68867-14-1
PubChem CID: 699799
DTXSID: DTXSID40351427
ChEMBL: CHEMBL4534520
EC Number: 628-788-7
Nikkaji: J1.920.341G

物性

構造計算による物性

XLogP: 2.4
極性表面積: 61.4 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 153

物理化学的性質

融点: 193 · 193-195 °C(lit.)
貯蔵温度: 2 · 2-8°C
InChI: 1S/C8H7NOS/c1-5-9-7-4-6(10)2-3-8(7)11-5/h2-4,10H,1H3
InChIKey: LAKVUPMDDFICNR-UHFFFAOYSA-N
SMILES: Cc1nc2cc(O)ccc2s1
CAS データベース: 68867 · 68867-14-1

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 45 reports by companies from 4 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.