5-Oxo-5-(2-thienyl)valeric acid

HCID 255155
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基本情報

CAS
22971-62-6
標準SMILES
O=C(O)CCCC(=O)c1cccs1
InChIKey
GSQMRVFOHNXKOR-UHFFFAOYSA-N
分子式
C9H10O3S
平均分子量
198.24 g/mol
単同位体質量
198.03506535

名称と識別子

優先名称
5-Oxo-5-(2-thienyl)valeric acid
IUPAC
5-oxo-5-thiophen-2-ylpentanoic acid
英語名
5-OXO-5-(2-THIENYL)VALERIC ACID
分子式
C9H10O3S
分子量
198.24

名称と別名

22971-62-65-Oxo-5-(thiophen-2-yl)pentanoic acid5-Oxo-5-(2-thienyl)valeric acid4-(2-thienoyl)butyric acid5-oxo-5-thiophen-2-ylpentanoic acidMFCD001518485-oxo-5-(2-thienyl)pentanoic acid2-Thiophenepentanoic acid, delta-oxo-NSC804125-Oxo-5-(thiophen-2-yl)pentanoicacidDTXSID50292130STR04830
名称をさらに表示
5-keto-5-(2-thienyl)valeric acid2-Thiophenepentanoic acid, δ-oxo-5-OXO-5-(2-THIENYL)VALERIC ACID 95%5-oxo-5-(2-Thienyl)valeric acid ,97%5-OXO-5-(2-THIENYL)VALERIC ACID ISO 9001：2015 REACHN'-[4-(hydroxymethyl)-2,5-diphenyl-3-pyrazolyl]-N,N-dimethylmethanimidamide
NSC-804125-(thien-2-yl)-5-oxopentanoic acidZ2348955215-oxo-5-thien-2-ylpentanoic acidFT-0616563A242424-(2-thenoyl)butyric acid5-(2-Thienoyl)butyric acid

データベース識別子

CAS
22971-62-6
PubChem CID
255155
DTXSID
DTXSID50292130
EC Number
681-852-6

物性

構造計算による物性

XLogP
1.4
極性表面積
82.6 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
5
重原子数
13

物理化学的性質

融点
94 · 94-97°C
沸点
407.8 · 407.8±25.0 °C(Predicted)
比重(密度)
1.282 · 1.282±0.06 g/cm3(Predicted)
貯蔵温度
2 · 2-8°C(protect from light)
酸解離定数(Pka)
4.59 · 4.59±0.10(Predicted)
BRN
141775 · 141775

化学的性質

化学的特性White solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (20%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+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 Sens. 1 (20%)；Eye Irrit. 2 (100%)

安全データ

hs_code
29349990
risk_code
36/37/38
safety_code
26-36

化学と産業

上流・下流製品情報

サプライヤー28 社

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
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]

関連反応

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