CAS 42327-95-7 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid (HCID 2795469)

基本情報

CAS: 42327-95-7
標準SMILES: CC1(C)Cc2cccc(C(=O)O)c2O1
InChIKey: AVVACPBRCFXZMR-UHFFFAOYSA-N
分子式: C11H12O3
平均分子量: 192.21 g/mol
単同位体質量: 192.07864424

名称と識別子

優先名称: 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid
IUPAC: 2,2-dimethyl-3H-1-benzofuran-7-carboxylic acid
現地名: 2,2-ジメチル-2,3-ジヒドロ-1-ベンゾフラン-7-カルボン酸
英語名: 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid
分子式: C11H12O3
分子量: 192.21

名称と別名

42327-95-72,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acidDTXSID30383691RefChem:441269DTXCID40334715867-686-92,2-dimethyl-2,3-dihydrobenzofuran-7-carboxylic acid2,2-dimethyl-3H-1-benzofuran-7-carboxylic acidMFCD034268262,2-dimethyl-2,3-dihydro-benzofuran-7-carboxylic acidSDCCGMLS-0066067.P0012,2-dimethyl-3H-benzofuran-7-carboxylic acid

名称をさらに表示

2,2-ジメチル-2,3-ジヒドロ-1-ベンゾフラン-7-カルボン酸2,2‐ジメチル‐2,3‐ジヒドロ‐1‐ベンゾフラン‐7‐カルボン酸7-Benzofurancarboxylic acid, 2,3-dihydro-2,2-dimethyl-2,2-Dimethyl-2,3-dihydro-1-benzofurane-7-carboxylicacid

SCHEMBL783714orb3031207SCHEMBL6197478AVVACPBRCFXZMR-UHFFFAOYSA-NFr12742SBA32795SBB091416AKOS006283231

データベース識別子

CAS: 42327-95-7
PubChem CID: 2795469
DTXSID: DTXSID30383691
EC Number: 867-686-9

物性

構造計算による物性

XLogP: 2
極性表面積: 46.5 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: 1
重原子数: 14
形式電荷: 0
複雑度: 247

物理化学的性質

融点: 137 °C · 137 °C

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 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.