CAS 10134-91-5 1-Benzothiophene-7-carbaldehyde (HCID 10702138)

基本情報

CAS: 10134-91-5
標準SMILES: O=Cc1cccc2ccsc12
InChIKey: WSSVAOKEXMFMIO-UHFFFAOYSA-N
分子式: C9H6OS
平均分子量: 162.21 g/mol
単同位体質量: 162.01393581

名称と識別子

優先名称: 1-Benzothiophene-7-carbaldehyde
IUPAC: 1-benzothiophene-7-carbaldehyde
現地名: ベンゾ[B]チオフェン-7-カルバルデヒド
英語名: Benzo[b]thiophene-7-carbaldehyde
分子式: C9H6OS
分子量: 162.21

名称と別名

1-Benzothiophene-7-carbaldehydeRefChem:429644805-514-6benzo[b]thiophene-7-carbaldehyde10134-91-5Benzo[b]thiophene-7-carboxaldehydeMFCD08572207CHEMBL3358208Benzothiophene-7-carbaldehyde7-formylbenzothiophene7-benzothiophene-carbaldehydeSCHEMBL97430

名称をさらに表示

ベンゾ[B]チオフェン-7-カルバルデヒドベンゾ[B]チオフェン‐7‐カルバルデヒドベンゾ[B]チオフェン-7-カルボキシアルデヒド7-Formylbenzo[b]thiophene7-Benzothienylcarboxaldehydebenzo[b]thiophen-7-carbaldehydeBenzo[b]thiophene-7-carboxaldehyde97%Benzo[b]thiophene-7-carboxaldehyde 97%7-Formylbenzo[b]thiophene, 1-Benzothiophene-7-carboxaldehyde

benzo[b]thiophene-7-aldehydeSCHEMBL2261401Benzo[b]thiophene-7carboxaldehydeDTXSID70443647WSSVAOKEXMFMIO-UHFFFAOYSA-NBDBM50037720EBC-03413SBB087627

データベース識別子

CAS: 10134-91-5
PubChem CID: 10702138
DTXSID: DTXSID70443647
ChEMBL: CHEMBL3358208
EC Number: 805-514-6
Nikkaji: J1.885.553D

物性

構造計算による物性

XLogP: 2.4
極性表面積: 45.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 158

物理化学的性質

融点: 42 °C · 42 °C
沸点: 145 °C · 145 °C
比重(密度): 1.3 · 1.300±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
外見: solid
色: Yellow

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301+H311+H331 (50%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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.