2,5-ジメチルフェニルボロン酸

(2,5-Dimethylphenyl)boronic acid

HCID 2734347
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基本情報

CAS
85199-06-0
標準SMILES
Cc1ccc(C)c(B(O)O)c1
InChIKey
OOMZKLJLVGQZGV-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
(2,5-Dimethylphenyl)boronic acid
IUPAC
(2,5-dimethylphenyl)boronic acid
現地名
2,5-ジメチルフェニルボロン酸
英語名
2,5-Dimethylphenylboronic acid
分子式
C8H11BO2
分子量
149.98

名称と別名

(2,5-dimethylphenyl)boronic AcidRefChem:394646677-065-22,5-Dimethylphenylboronic acid85199-06-02,5-Dimethylbenzeneboronic AcidMFCD01863525Boronic acid, B-(2,5-dimethylphenyl)-2,5-Dimethylphenylboronicacidp-Xylene-2-boronic AcidBoronic acid, (2,5-dimethylphenyl)-(2,5-Dimethylphenyl)Boranediol
名称をさらに表示
2,5-ジメチルフェニルボロン酸2.5-ジメチルフェニルボロン酸2,5-ジメチルベンゼンボロン酸p-キシレン-2-ボロン酸2,5‐ジメチルフェニルボロン酸AKOS BRN-0066AKOS BRN-00862-Borono-p-xyleneCHEMBRDG-BB 4003297RARECHEM AH PB 0196RARECHEM AH PB 0089p-Xyleneboronic acid
B-(2,5-Dimethylphenyl)-Boronic Acid; 2,5-Xyleneboronic Acid; (2,5-Dimethylphenyl)-boronic Acid; (2,5-Dimethylphenyl)boronic Acid; p-Xyleneboronic Acid2,5-DIMETHYLBENZENEBORONICACID2,5-dimehylphenylboronic acidSCHEMBL5131362,5-Dimethylbenzenboronic acidorb29401242,5-dimethyl-phenylboronic acid2,5-dimethylphenyl boronic acid

データベース識別子

CAS
85199-06-0
PubChem CID
2734347
DTXSID
DTXSID80370238
EC Number
677-065-2
Nikkaji
J1.762.499G

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

物理化学的性質

融点
186 · 186-191 °C (lit.)
沸点
305.1 · 305.1±52.0 °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
溶解性
DMSO（微量）、メタノール（微量）
酸解離定数(Pka)
8.7 · 8.70±0.58(Predicted)

化学的性質

化学的特性white to light yellow crystal powde

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (14.3%): 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 (85.7%): 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 7 reports by companies from 4 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 (14.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (85.7%)

安全データ

wgk
3
PRTR法
第一種指定化学物質
hs_code
29163990
risk_code
36/37/38-22
hazard_code
Xn,Xi
safety_code
37/39-26-36/37

化学と産業

応用分野

用途有機合成原料。

使用Reactant for:• ;Friedel-Crafts alkylation1• ;Suzuki-Miyaura coupling2

上流・下流製品情報

サプライヤー100 社

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

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