Br-Mmc

4-Bromomethyl-7-methoxycoumarin

HCID 121894
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基本情報

CAS
35231-44-8
標準SMILES
COc1ccc2c(CBr)cc(=O)oc2c1
InChIKey
CTENSLORRMFPDH-UHFFFAOYSA-N
分子式
C11H9BrO3
平均分子量
269.09 g/mol
単同位体質量
267.97351

名称と識別子

優先名称
4-Bromomethyl-7-methoxycoumarin
IUPAC
4-(bromomethyl)-7-methoxychromen-2-one
現地名
Br-Mmc
英語名
4-Bromomethyl-7-methoxycoumarin
分子式
C11H9BrO3
分子量
269.09

名称と別名

4-bromomethyl-7-methoxycoumarin35231-44-84-(bromomethyl)-7-methoxychromen-2-one4K32PB5K8Q4-Bromomethyl-7-methoxy-2-oxo-2H-benzopyranDTXSID701887234-(bromomethyl)-7-methoxy-2-oxo-2H-benzopyranRefChem:98208DTXCID30111214252-448-3Br-Mmc4-(Bromomethyl)-7-methoxy-2H-chromen-2-one
名称をさらに表示
7-メトキシ-4-ブロモメチルクマリン4-ブロモメチル-7-メトキシクマリン4-(ブロモメチル)-7-メトキシ-2H-1-ベンゾピラン-2-オン4-ブロモメチル-7-メトキシ-2H-1-ベンゾピラン-2-オン4-(ブロモメチル)-7-メトキシクマリン4-ブロモメチル-7-メトキシクマリン 臭化物4-(ブロモメチル)-7-メトキシ-2H-クロメン-2-オンBMC-7-methoxy-2H-chromen-2-one4-BROMOETHYL-7-METHOXYCOUMARIN4-Bromomethyl-7-methoxycoumain4-bromomethyl-7-hydroxycoumarin7-Methoxy-4-bromomethylcoumarin
4-(Bromomethyl)-7-methoxycoumarinMFCD000068692H-1-Benzopyran-2-one, 4-(bromomethyl)-7-methoxy-SCHEMBL677794-(Bromomethyl)-7-methoxy-2H-1-benzopyran-2-oneAS-458827-methoxy-2-oxo-4-bromomethyl-3-chromeneBMC, Br-Mmc

データベース識別子

CAS
35231-44-8
PubChem CID
121894
DTXSID
DTXSID70188723
UNII
4K32PB5K8Q
EC Number
252-448-3
Nikkaji
J207.993C

物性

構造計算による物性

XLogP
2.4
極性表面積
35.5 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
2
重原子数
15

物理化学的性質

融点
213 · 213-215 °C (lit.)
沸点
385.3 · 385.3±42.0 °C(Predicted)
比重(密度)
1.552 · 1.552±0.06 g/cm3(Predicted)
貯蔵温度
2 · Keep in dark place,Inert atmosphere,2-8°C
溶解性
20 mg/mL、透明、無色～微黄色 · クロロホルム：可溶20mg/mL、透明、無色～微黄色
外見
粉末および/またはチャンク

化学的性質

化学的特性Light Green-Yellow Crystals

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): 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 40 reports by companies from 3 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 (97.5%)；Skin Irrit. 2 (97.5%)；Eye Irrit. 2 (97.5%)；STOT SE 3 (97.5%)

安全データ

wgk
3
ridadr
1759
hs_code
29322090
risk_code
36/37/38-22
hazard_code
Xi,Xn
safety_code
26-36-37/39

化学と産業

応用分野

使用4-Bromomethyl-7-methoxycoumarin can be used as fluorescent label for fatty acids. For derivatization, TLC and HPLC separation, and fluorometric analysis of a wide range of naturally occurring acids, including bile and thromboxane B2.

調製方法 · 1 件

純化方法The coumarin crystallises from boiling AcOH; the crystals are washed with AcOH, EtOH and dried in a vacuum; 1HNMR (TFA) 3.97s, 4.57s, 6.62s, 6.92-7.19m and 7.80d. [Secrist et al. Biochem Biophys Res Commun 45 1262 1971, Dünges Anal Chem 49 442 1977, Beilstein 18 III/IV 348.]

上流・下流製品情報

サプライヤー100 社

上海康恩博医药科技有限公司17510465506 · [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]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

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