3-クロロ-1-ベンゾチオフェン-2-カルブアルデヒド

3-Chloro-1-benzothiophene-2-carbaldehyde

HCID 818121

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 14006-54-3
標準SMILES: O=Cc1sc2ccccc2c1Cl
InChIKey: UFTPKLPCVLXBQY-UHFFFAOYSA-N
分子式: C9H5ClOS
平均分子量: 196.65 g/mol
単同位体質量: 195.9749636

名称と識別子

優先名称: 3-Chloro-1-benzothiophene-2-carbaldehyde
IUPAC: 3-chloro-1-benzothiophene-2-carbaldehyde
現地名: 3-クロロ-1-ベンゾチオフェン-2-カルブアルデヒド
英語名: 3-Chloro-1-benzothiophene-2-carbaldehyde
分子式: C9H5ClOS
分子量: 196.65

名称と別名

14006-54-33-chloro-1-benzothiophene-2-carbaldehydeDTXSID20355908RefChem:278064DTXCID90306967800-785-73-chlorobenzo[b]thiophene-2-carbaldehydeBenzo[b]thiophene-2-carboxaldehyde, 3-chloro-3-Chloro-benzo[b]thiophene-2-carbaldehydeMFCD004890513-chlorobenzothiophene-2-carbaldehyde3-Chlorobenzo[b]thiophene-2-carboxaldehyde

名称をさらに表示

3-クロロ-1-ベンゾチオフェン-2-カルブアルデヒド3-クロロベンゾ[B]チオフェン-2-カルブアルデヒド3-Chloro-2-benzothiophenecarboxaldehyde3-chloro-1-benzothiophene-2-carbaldehyde(SALTDATA: FREE)

3-CHLOROBENZO[B]THIOPHENE-2- CARBALDEHYDESCHEMBL659370SCHEMBL5394529UFTPKLPCVLXBQY-UHFFFAOYSA-NALBB-025147FD7228SBB072434AKOS001115599

データベース識別子

CAS: 14006-54-3
PubChem CID: 818121
DTXSID: DTXSID20355908
EC Number: 800-785-7
Nikkaji: J770.964A

物性

構造計算による物性

XLogP: 3.4
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: 12
形式電荷: 0
複雑度: 185

物理化学的性質

融点: 112 · 112-113℃ (hexane )
沸点: 331.1 · 331.1±22.0 °C(Predicted)
比重(密度): 1.439 · 1.439±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C

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 2 reports by companies from 2 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.