4-クロロシンナムアルデヒド

3-(4-Chlorophenyl)prop-2-enal

HCID 5924929

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基本情報

CAS: 1075-77-0
標準SMILES: O=C/C=C/c1ccc(Cl)cc1
InChIKey: HONRSHHPFBMLBT-OWOJBTEDSA-N
分子式: C9H7ClO
平均分子量: 166.6 g/mol
単同位体質量: 166.0185425

名称と識別子

優先名称: 3-(4-Chlorophenyl)prop-2-enal
IUPAC: (E)-3-(4-chlorophenyl)prop-2-enal
現地名: 4-クロロシンナムアルデヒド
英語名: 4-Chlorocinnamaldehyde
分子式: C9H7ClO
分子量: 166.6

名称と別名

49678-02-64-CHLOROCINNAMALDEHYDE1075-77-03-(4-chlorophenyl)prop-2-enalRefChem:492945663-246-3887-559-1(E)-3-(4-Chlorophenyl)acrylaldehyde3-(4-Chlorophenyl)acrylaldehyde(E)-3-(4-chlorophenyl)prop-2-enalp-ChlorocinnamaldehydeMFCD00156880

名称をさらに表示

4-クロロシンナムアルデヒド4-クロロ-trans-シンナムアルデヒド(E)-4-クロロシンナムアルデヒド(E)-3-(4-クロロフェニル)プロペナールorocinnamaL4-CHLORO CINNAMALDEHYDE(E)-4-Chlorocinnamaldehyde4-ChlorocinnaMaldehyde 96%4- chlorocinnaMic aldehyde4-Chloro-trans-cinnamaldehyde(E)-3-(4-Chlorophenyl)propenal4-Chlorocinnamaldehyde USP/EP/BP

trans-p-Chlorocinnamaldehydetrans-4-chlorocinnamaldehyde(E)-3-(4-Chlorophenyl)-2-propenal2-Propenal, 3-(4-chlorophenyl)-, (2E)-4-Chlorocinnamaldehyde, 96%SCHEMBL431858SCHEMBL2342481HONRSHHPFBMLBT-OWOJBTEDSA-N

データベース識別子

CAS: 1075-77-0、49678-02-6
PubChem CID: 5924929
DTXSID: DTXSID401380742
EC Number: 663-246-3、887-559-1
Nikkaji: J432.421H、J953.646I

物性

構造計算による物性

XLogP: 2.1
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 146

物理化学的性質

融点: 57 · 57-63°C
沸点: 115 °C · 115 °C(Press: 2 Torr)
比重(密度): 1.192 · 1.192±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C
外見: crystalline needles
色: White to off-white
InChI: InChI=1S/C9H7ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-7H/b2-1+
InChIKey: HONRSHHPFBMLBT-OWOJBTEDSA-N
SMILES: C(=O)/C=C/C1=CC=C(Cl)C=C1
CAS データベース: 49678 · 49678-02-6

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 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.