基本情報
- CAS
168618-44-8- 標準SMILES
Cc1ccccc1-c1cccc(C(=O)O)c1- InChIKey
IAZJDWZUCUHVPQ-UHFFFAOYSA-N- 分子式
- C14H12O2
- 平均分子量
- 212.24 g/mol
- 単同位体質量
- 212.08372962
名称と識別子
- 優先名称
- 2'-Methyl-biphenyl-3-carboxylic acid
- IUPAC
- 3-(2-methylphenyl)benzoic acid
- 現地名
- 2'-メチルビフェニル-3-カルボン酸
- 英語名
- 2'-Methylbiphenyl-3-carboxylic acid
- 分子式
- C14H12O2
- 分子量
- 212.24
名称と別名
2'-Methyl-biphenyl-3-carboxylic acidRefChem:439710672-102-9168618-44-82'-methylbiphenyl-3-carboxylic acid3-(2-methylphenyl)benzoic Acid2'-methyl-[1,1'-biphenyl]-3-carboxylic acid2'-methyl[1,1'-biphenyl]-3-carboxylic acidMFCD03424589[1,1'-Biphenyl]-3-carboxylic acid, 2'-methyl-2/'-METHYLBIPHENYL-3-CARBOXYLIC ACID[1,1'-biphenyl]
名称をさらに表示
2'-メチルビフェニル-3-カルボン酸2'-メチル-[1,1'-ビフェニル]-3-カルボン酸2′-メチルビフェニル-3-カルボン酸AKOS BAR-0002RARECHEM AL BE 1346CHEMBRDG-BB 44004113-(2-Tolyl)benzoic acid3-(2-methylphenyl)benzoate2'-methylbiphenyl-3-carboxylic acid(SALTDATA: FREE)
3-(o-tolyl)benzoic acidSCHEMBL2995452CHEMBL4162514DTXSID80374918IAZJDWZUCUHVPQ-UHFFFAOYSA-NAKOS002683494AB92599AS-2106
データベース識別子
- CAS
168618-44-8- PubChem CID
- 2759814
- DTXSID
DTXSID80374918- ChEMBL
CHEMBL4162514- EC Number
- 672-102-9
- Nikkaji
- J2.207.319B
物性
構造計算による物性
- XLogP
- 4
- 極性表面積
- 37.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 2
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 249
物理化学的性質
- 貯蔵温度
- 2 · 2-8°C
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): 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 2 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 CategoriesAcute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2 (50%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)
安全データ
- hs_code
- 2916399090
- risk_code
- 22
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
化学と産業
応用分野
使用2''-Methylbiphenyl-3-carboxylic Acid is a reagent used in Suzuki-Miyaura reaction of aryl and heteroaryl halides with aryl(heteroaryl)boronic acids in water using palladium-EDTA catalyst.
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関連反応
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化合物ノート
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