CAS 130570-60-4 1-methyl-1H-indol-6-ol (HCID 12203496)

基本情報

CAS: 130570-60-4
標準SMILES: Cn1ccc2ccc(O)cc21
InChIKey: OOOVRUXKQGYTPJ-UHFFFAOYSA-N
分子式: C9H9NO
平均分子量: 147.17 g/mol
単同位体質量: 147.06841391

名称と識別子

優先名称: 1-methyl-1H-indol-6-ol
IUPAC: 1-methylindol-6-ol
現地名: 1-メチル-1H-インドール-6-オール
英語名: 1-methyl-1H-indol-6-ol
分子式: C9H9NO
分子量: 147.17

名称と別名

1-methyl-1H-indol-6-ol130570-60-4RefChem:433859892-437-61-methylindol-6-oln-methyl-6-hydroxyindole6-hydroxy-1-methylindoleCarbazochrome Impurity N8SCHEMBL118436SCHEMBL29116707OOOVRUXKQGYTPJ-UHFFFAOYSA-NFFA57060

名称をさらに表示

1-メチル-1H-インドール-6-オールAsciminib Impurity 251H-Indol-6-ol, 1-methyl-Carbazochrome Impurity 7Carbazochrome Sodium Sulfonate Impurity 5Carbazochrome sodium sulfonate iMpurit 6

AKOS022634280DB-111327EN300-269936H56986Z1255447420

データベース識別子

CAS: 130570-60-4
PubChem CID: 12203496
EC Number: 892-437-6
Nikkaji: J2.909.165J

物性

構造計算による物性

XLogP: 2.4
極性表面積: 25.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 148

物理化学的性質

融点: 209 · 209-210 °C(Solv: ethanol (64-17-5))
沸点: 316.8 · 316.8±15.0 °C(Predicted)
比重(密度): 1.15 · 1.15±0.1 g/cm3(Predicted)
酸解離定数(Pka): 10.26 · 10.26±0.40(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.