P-トリルアセチルクロリド

2-(4-Methylphenyl)acetyl chloride

HCID 2760634CAS 35675-44-6

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1ccc(CC(=O)Cl)cc1
InChIKey: QDZAWVLWIMOXJT-UHFFFAOYSA-N
分子式: C9H9ClO
平均分子量: 168.62 g/mol
単同位体質量: 168.0341926

名称と識別子

優先名称: 2-(4-Methylphenyl)acetyl chloride
IUPAC: 2-(4-methylphenyl)acetyl chloride
現地名: P-トリルアセチルクロリド
英語名: P-TOLYL-ACETYL CHLORIDE
分子式: C9H9ClO
分子量: 168.62

名称と別名

2-(4-methylphenyl)acetyl chlorideRefChem:458128673-227-135675-44-6P-Tolyl-Acetyl Chloridep-tolylacetyl chloridep-Tolyl-acetylchlorideMFCD00018813(4-methylphenyl)acetyl chloride4-methyl-phenyl-acetyl chloridestarbld00166734-methylphenylacetylchloride

名称をさらに表示

P-トリルアセチルクロリドp-Tolylacetylchloride,97+%Benzeneacetyl chloride, 4-methyl-

2-(p-tolyl)acetyl chloridep-methylphenylacetyl chloride2-(4-tolyl)acetyl chloride4-methylphenylacetyl chlorideSCHEMBL657538DTXSID90375274QDZAWVLWIMOXJT-UHFFFAOYSA-N2-(4-methylphenyl) acetylchloride

データベース識別子

CAS: 35675-44-6
PubChem CID: 2760634
DTXSID: DTXSID90375274
EC Number: 673-227-1
Nikkaji: J1.181.608H

物性

構造計算による物性

XLogP: 2.8
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: 136

物理化学的性質

沸点: 115 ℃/7.5mm · 115℃/7.5mm
外見: 液体
色: ピンク

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H290 (16.7%): May be corrosive to metals [Warning Corrosive to Metals]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (16.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (83.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (16.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (16.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 5 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 CategoriesMet. Corr. 1 (16.7%)；Acute Tox. 4 (50%)；Acute Tox. 4 (16.7%)；Skin Corr. 1B (83.3%)；Eye Dam. 1 (50%)；Acute Tox. 4 (16.7%)；STOT SE 3 (16.7%)