CAS 7472-43-7 7-Oxo-7-phenylheptanoic acid (HCID 344830)

基本情報

CAS: 7472-43-7
標準SMILES: O=C(O)CCCCCC(=O)c1ccccc1
InChIKey: DOQWHEUDAHLEPT-UHFFFAOYSA-N
分子式: C13H16O3
平均分子量: 220.26 g/mol
単同位体質量: 220.10994437

名称と識別子

優先名称: 7-Oxo-7-phenylheptanoic acid
IUPAC: 7-oxo-7-phenylheptanoic acid
現地名: 7-オキソ-7-フェニルヘプタン酸
英語名: 6-Benzoylhexanoic acid
分子式: C13H16O3
分子量: 220.26

名称と別名

7-Oxo-7-phenylheptanoic acidRefChem:547013616-130-17472-43-76-Benzoylhexanoic acidMFCD00039608NSC 4019497-oxo-7-phenyl-heptanoic acidorb3030799SCHEMBL3378075SCHEMBL8609649SCHEMBL8610638

名称をさらに表示

7-オキソ-7-フェニルヘプタン酸6-Benzoylhexanoicacid,94%BENZENEHEPTANOICACID,-OXO-7-Phenyl-7-oxoheptanoic acidBENZENEHEPTANOIC ACID, Z-OXO-ALPHA-OXO BENZENEHEPTANOIC ACID6-Benzoylhexanoic acid(Seratrodast inteMediate)Benzeneheptanoic acid, -oxo-

7-Oxo-7-phenylheptanoic acid #DTXSID00322739Fr13349CCG-52421NSC401949ZB1384AKOS015965691NSC-401949

データベース識別子

CAS: 7472-43-7
PubChem CID: 344830
DTXSID: DTXSID00322739
EC Number: 616-130-1
Nikkaji: J1.560.468I

物性

構造計算による物性

XLogP: 2.3
極性表面積: 54.4 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 7
重原子数: 16
形式電荷: 0
複雑度: 229

物理化学的性質

融点: 83 · 83-86°C
沸点: 396 · 396.0±25.0 °C(Predicted)
比重(密度): 1.111 · 1.111
酸解離定数(Pka): 4.74 · 4.74±0.10(Predicted)
BRN: 2694641 · 2694641
CAS データベース: 7472 · 7472-43-7(CAS DataBase Reference)

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 5 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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

risk_code: 36/37/38
safety_code: 26-36

化学と産業

上流・下流製品情報

下流製品

ベンゼンヘプタン酸

サプライヤー25 社

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]

阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

化合物ノート

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