对溴苯甲酸甲酯 | 619-42-1
中文名称:
对溴苯甲酸甲酯
英文名称:
4-Bromobenzoic Acid Methyl Ester
CAS No.:
619-42-1
分子式:
C8 H7 BrO2
分子量:
215.043981790543
名称和标识符
MDL
MFCD00013531
InChIKey
CZNGTXVOZOWWKM-UHFFFAOYSA-N
Inchi
1S/C8H7BrO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
SMILES
BrC1C=CC(C(=O)OC)=CC=1
BRN
2045132
别名信息
- 中文别名 -
对溴苯甲酸甲酯
4-溴苯甲酸甲酯
Methyl 4-Bromobenzoate 4-溴苯甲酸甲酯
甲基-4-溴苯甲酸甲酯
甲基4-溴苯甲酸酯
4-溴苯甲酸甲酯 10G
4-溴苯甲酸甲酯, 98+%
对溴苯甲酸甲酯, 98%+
对溴苯甲酸甲酯(对甲氧羰基溴苯)
4-溴苯甲酸甲酯(CAS号:619-42-1)
X**4-溴苯甲酸甲酯
- 英文别名 -
Methyl 4-bromobenzoate
4-BROMOBENZOIC ACID METHYL ESTER
BRBSME
METHYL P-BROMOBENZOATE
RARECHEM AL BF 0075
4-bromo-benzoicacimethylester
Benzoic acid, 4-bromo-, methyl ester
Benzoic acid, p-bromo-, methyl ester
p-Bromobenzoic acid, methyl ester
1-BROMO-4-(METHOXYCARBONYL)BENZENE
Methyl-p-bromobenzoate
4-bromo-methylbenzoate
F3095-4305
methyl 4-bromo-benzoate
p-Br(C6H4)CO2Me
Benzoicacid, p-bromo-, methyl ester (6CI,7CI,8CI)
NSC 9392
Methylp-bromobenzoate
p-Bromobenzoic acid methyl ester
UB1YSJ5XAR
CZNGTXVOZOWWKM-UHFFFAOYSA-N
PubChem3962
methyl-4-Bromobenzoate
Methyl p-bromo benzoate
methyl 4-bromanylbenzoate
Maybridge3_003726
Methyl-4- bromobenzoate,
METHYL 4-BROMOBENZOATE
AKOS002264647
NSC-9392
FT-0617866
Methyl 4-bromobenzoate, 99%
Q27290993
4-bromobenzoicacid methyl ester
CCG-252688
IDI1_015113
HMS1441J08
4-BROMOBENZOIC ACID METHYL ESTER [MI]
W-105074
4-METHOXYCARBONYLPHENYL BROMIDE
4-bromo-phenyl carboxylic acid methyl ester
4-Bromo-benzoic acid methyl ester
EN300-44164
619-42-1
A8567
AC-19470
InChI=1/C8H7BrO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H
AM20060697
CS-W004846
4-Bromobenzoic Acid Methyl Ester
SCHEMBL7623
MFCD00013531
4-Bromobenzoic acid, methyl ester
DTXSID7060702
NSC9392
B0556
4-METHOXYCARBONYL-1-BROMOBENZENE
A833495
EINECS 210-596-6
AE-848/01025045
SY001702
Z19682625
GS-3045
4-bromo benzoic acid methyl ester
1643577-32-5
UNII-UB1YSJ5XAR
物化性质
实验特性
LogP
2.23570
PSA
26.30000
Merck
1408
折射率
1.5500 (estimate)
水溶性
Insoluble in water.
沸点
252.95°C (rough estimate)
熔点
79.0 to 81.0 deg-C
蒸气压
0.0±0.5 mmHg at 25°C
闪点
112.4℃
溶解度
Chloroform (Slightly), Methanol (Slightly)
颜色与性状
粉末。
溶解性
未确定。
密度
1.69
计算特性
精确分子量
213.96300
氢键供体数量
0
氢键受体数量
2
可旋转化学键数量
2
同位素质量
213.963
重原子数量
11
复杂度
139
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
3
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
26.3
海关数据
海关编码
2916399090
海关数据
中国海关编码:
2916399090
概述:
2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装
Summary:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
相关文献
1.
Palladium catalysed aryl amination reactions in supercritical carbon dioxide
Catherine J. Smith,Melanie W. S. Tsang,Andrew B. Holmes,Rick L. Danheiser,Jefferson W. Tester Org. Biomol. Chem. 2005 3 3767
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3.
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Lu Chen,Christian Bruneau,Pierre H. Dixneuf,Henri Doucet Green Chem. 2012 14 1111
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Direct arylation as a versatile tool towards thiazolo[5,4-d]thiazole-based semiconducting materials
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Negishi cross-coupling reaction catalyzed by an aliphatic, phosphine based pincer complex of palladium. biaryl formation via cationic pincer-type PdIV intermediates
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Carbonates: eco-friendly solvents for palladium-catalysed direct arylation of heteroaromatics
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Nickel-catalyzed asymmetric reductive arylation of α-chlorosulfones with aryl halides
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参考资料
Reaxys RN
2045132
Beilstein
9(3)1405
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