基本情報
- CAS
55499-44-0- 標準SMILES
Cc1ccc(B(O)O)c(C)c1- InChIKey
TYONHSPZXLFWKI-UHFFFAOYSA-N- 分子式
- C8H11BO2
- 平均分子量
- 149.98 g/mol
- 単同位体質量
- 150.0852098
名称と識別子
- 優先名称
- (2,4-Dimethylphenyl)boronic acid
- IUPAC
- (2,4-dimethylphenyl)boronic acid
- 現地名
- 2,4-ジメチルフェニルボロン酸
- 英語名
- 2,4-Dimethylphenylboronic acid
- 分子式
- C8H11BO2
- 分子量
- 149.98
名称と別名
(2,4-dimethylphenyl)boronic AcidRefChem:394608640-293-82,4-Dimethylphenylboronic acid55499-44-02,4-Dimethylbenzeneboronic AcidMFCD026831012,4-Dimethyl phenyl boronic acid2,4-DimethylphenylboronicacidBoronic acid, (2,4-dimethylphenyl)-2,4-DIMETHYLBENZENEBORONICACIDm-Xylene-4-boronic Acid
名称をさらに表示
2,4-ジメチルフェニルボロン酸2,4-ジメチルベンゼンボロン酸m-キシレン-4-ボロン酸2,4‐ジメチルフェニルボロン酸AKOS BRN-02254-Borono-m-xylene2,4-Dimethylphenylboronic2,4-Dimethylphenbornic acidB-(2,4-Dimethylphenyl)boronic acid2,4-Dimethylphenylboronic acid ,98%Boronic acid, B-(2,4-dimethylphenyl)-
SCHEMBL424142,4-dimethylphenyl boronic acidSCHEMBL295910862,4-dimethylbenzene boronic acidDTXSID50400738(2,4-dimethyl-phenyl)boronic acid2,4-Dimethylphenylboronic acid, 95%AKOS000285074
データベース識別子
- CAS
55499-44-0- PubChem CID
- 4198739
- DTXSID
DTXSID50400738- EC Number
- 640-293-8
- Nikkaji
- J2.837.403H
物性
構造計算による物性
- 極性表面積
- 40.5 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 2
- 回転可能結合数
- 1
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 127
物理化学的性質
- 融点
- 204 · 204-208°C
- 沸点
- 292.4 · 292.4±50.0 °C(Predicted)
- 比重(密度)
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- 貯蔵温度
- Keep in dark place,Sealed in dry,Room Temperature
- 水溶解度
- Slightly soluble in water
- 外見
- powder to crystal
- 酸解離定数(Pka)
- 8.92 · 8.92±0.58(Predicted)
- 色
- White to Light yellow
- InChI
- 1S/C8H11BO2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5,10-11H,1-2H3
- InChIKey
- TYONHSPZXLFWKI-UHFFFAOYSA-N
- SMILES
- Cc1ccc(B(O)O)c(C)c1
- CAS データベース
- 55499 · 55499-44-0(CAS DataBase Reference)
化学的性質
化学的特性White powder
安全と法規制
GHS分類
GHS Classification
Warning
H302 (86.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (15.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (15.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (13.3%): 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 45 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 CategoriesAcute Tox. 4 (86.7%)；Skin Irrit. 2 (15.6%)；Eye Irrit. 2A (15.6%)；STOT SE 3 (13.3%)
安全データ
- wgk
- 3
- PRTR法
- 第一種指定化学物質
- hs_code
- 29319090
- risk_code
- 36/37/38-22
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39-36/37-37
- hazard_class
- IRRITANT
- Hazard Classifications
- Acute Tox. 4 Oral
- ストレージクラス
- 13 - Non Combustible Solids
化学と産業
応用分野
用途有機合成原料。
使用suzuki reaction
上流・下流製品情報
上流原料
サプライヤー100 社
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学
関連反応
44 件
化合物ノート
読み込み中…