4-メチル-3-ニトロフェニルボロン酸

4-Methyl-3-nitrobenzeneboronic acid

HCID 2773515

基本情報

CAS
80500-27-2
標準SMILES
Cc1ccc(B(O)O)cc1[N+](=O)[O-]
InChIKey
OASVXBRTNVFKFS-UHFFFAOYSA-N
分子式
C7H8BNO4
平均分子量
180.96 g/mol
単同位体質量
181.0546379

名称と識別子

優先名称
4-Methyl-3-nitrobenzeneboronic acid
IUPAC
(4-methyl-3-nitrophenyl)boronic acid
現地名
4-メチル-3-ニトロフェニルボロン酸
英語名
4-Methyl-3-nitrophenylboronic acid
分子式
C7H8BNO4
分子量
180.95

名称と別名

4-METHYL-3-NITROBENZENEBORONIC ACIDRefChem:525250672-692-84-Methyl-3-nitrophenylboronic acid80500-27-2(4-methyl-3-nitrophenyl)boronic acidMFCD001915504-methyl-3-nitrophenyl boronic acid(4-methyl-3-nitro-phenyl)-oxidanyl-oxidanylidene-boron3-Nitro-p-tolylboronic Acid4-Methyl-3-nitrophenylboronicacid(4-methyl-3-nitro-phenyl)boronic Acid
名称をさらに表示
4-メチル-3-ニトロフェニルボロン酸3-ニトロ-p-トリルボロン酸4‐メチル‐3‐ニトロフェニルボロン酸(4-メチル-3-ニトロフェニル)ボロン酸AKOS BRN-0124RARECHEM AH PB 0107-3-nitrobenzeneboronic acid4-Methyl-3-Nitrophenylboronic2-Nitrotoluene-4-boronic acid4-Chloro-3-methyphenylboronic acid
Boronic acid, (4-methyl-3-nitrophenyl)-3-NITRO-4-METHYLPHENYLBORONIC ACID3-NITRO-4-METHYLBENZENEBORONIC ACIDSCHEMBL177216SCHEMBL29825545DTXSID00378514SBB0641274-methyl-3-nitro-phenyl boronic acid

データベース識別子

CAS
80500-27-2
PubChem CID
2773515
DTXSID
DTXSID00378514
EC Number
672-692-8
Nikkaji
J534.128K

物性

構造計算による物性

極性表面積
86.3 Ų
水素結合供与体数
2
水素結合受容体数
4
回転可能結合数
1
重原子数
13

物理化学的性質

融点
265 · 265-270 °C (lit.)
沸点
356.7 · 356.7±52.0 °C(Predicted)
比重(密度)
1.33 · 1.33±0.1 g/cm3(Predicted)
貯蔵温度
2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性
soluble in Methanol,Acetone
外見
powder to crystal

化学的性質

化学的特性white to light yellow crystal powder

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.

Warning

H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (14.3%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (71.4%): 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 7 reports by companies.;There are 3 notifications provided by 6 of 7 reports by companies with hazard statement code(s).;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%);Acute Tox. 4 (14.3%);Skin Irrit. 2 (85.7%);Eye Irrit. 2 (85.7%);Acute Tox. 4 (14.3%);STOT SE 3 (71.4%)

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
hazard_code
Xi
safety_code
26-36-37

化学と産業

応用分野

使用Reactant for:• ;Preparation of inhibitors of lactate dehydrogenase against cancer cell proliferation1• ;Suzuki-Miyaura coupling reactions2,3• ;Preparation of imidazothiazoles as iodide efflux inhibitors in thyrocytes4

サプライヤー90 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]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]

関連反応

19 件

化合物ノート

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