2-(4-ブロモフェニル)マロンジアルデヒド

2-(4-Bromophenyl)propanedial

HCID 3494646

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 709648-68-0
標準SMILES: O=CC(C=O)c1ccc(Br)cc1
InChIKey: PRLAEKVWSOXWMG-UHFFFAOYSA-N
分子式: C9H7BrO2
平均分子量: 227.05 g/mol
単同位体質量: 225.96294

名称と識別子

優先名称: 2-(4-Bromophenyl)propanedial
IUPAC: 2-(4-bromophenyl)propanedial
現地名: 2-(4-ブロモフェニル)マロンジアルデヒド
英語名: 2-(4-BROMOPHENYL)MALONDIALDEHYDE
分子式: C9H7BrO2
分子量: 227.05

名称と別名

2-(4-bromophenyl)propanedialRefChem:457121674-323-6709648-68-02-(4-Bromophenyl)malonaldehyde2-(4-Bromophenyl)malondialdehydeMFCD022618952-(4-bromphenyl)malondialdehyde2-(4-bromophenyl)propane-1,3-dial(4-Bromophenyl)propanedial(4-broMophenyl)MalondialdehydeSCHEMBL1129069

名称をさらに表示

2-(4-ブロモフェニル)マロンジアルデヒド2-(4-Bromophenyl)maloaldehyde

DTXSID50393015PRLAEKVWSOXWMG-UHFFFAOYSA-NPropanedial, 2-(4-bromophenyl)-JDB64868SBB097083AKOS0223469252-(4-Bromophenyl)malonaldehyde 95+%SY062708

データベース識別子

CAS: 709648-68-0
PubChem CID: 3494646
DTXSID: DTXSID50393015
EC Number: 674-323-6

物性

構造計算による物性

XLogP: 1.7
極性表面積: 34.1 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: 3
重原子数: 12
形式電荷: 0
複雑度: 154

物理化学的性質

融点: 157 · 157-160
沸点: 302.3 · 302.3±32.0 °C(Predicted)
比重(密度): 1.51 · 1.510±0.06 g/cm3(Predicted)
外見: powder
酸解離定数(Pka): 3.49 · 3.49±0.10(Predicted)
色: Yellow

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (25%)；Acute Tox. 4 (25%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (25%)；STOT SE 3 (100%)

安全データ

hs_code: 2913000090
hazard_code: Xi
hazard_class: IRRITANT

化学と産業

サプライヤー10 社

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

Clearsynth Labs Limited+91-22-26355700 · [email protected]

武汉翱飞科技有限公司15841022315 · [email protected]

上海睿升化工科技有限公司15026594951 · [email protected]

江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]

化合物ノート

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