3,5-二溴水杨醛 | 90-59-5
3,5-二溴水杨醛
3,5-Dibromosalicylaldehyde
90-59-5
C7H4Br2O2
279.913460731506
名称和标识符
MDL |
MFCD00003318 |
InChIKey |
JHZOXYGFQMROFJ-UHFFFAOYSA-N |
Inchi |
1S/C7H4Br2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H |
SMILES |
O=CC1C(O)=C(Br)C=C(Br)C=1 |
BRN |
1424739 |
别名信息
- 中文别名 -
- 3,5-二溴水杨醛
- 3,5-Dibromosalicylaldehyde 3,5-二溴水杨醛
- 3,5-二氯水杨醛
- 3,5-二溴乙醛
- 登溴克新
- 登溴克新杂质C(EP) 标准品
- 3,5-二溴-2-羟基苯甲醛
- 英文别名 -
- 3,5-Dibromo-2-hydroxybenzaldehyde
- 3,5-Dibromosalicyladehyde
- 3,5-Dibromosalicylaldehyde
- Dalyde
- Benzaldehyde, 3,5-dibromo-2-hydroxy-
- 3,5-Dibromosalicylaldeyde
- 2-Hydroxy-3,5-dibromobenzaldehyde
- 3,5-DIBROMOSILICYLALDEHYDE
- 7A260PBI3A
- JHZOXYGFQMROFJ-UHFFFAOYSA-N
- 3,5-DIBROMO SALICYCLIC ALDEHYDE
- Salicylaldehyde, 3,5-dibromo- (6CI,7CI,8CI)
- Salicylaldehyde, 3,5-dibromo-
- PD139179
- 90-59-5
- InChI=1/C7H4Br2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11
- 9P-929
- Salicylaldehyde,5-dibromo-
- FT-0614520
- DTXSID1021796
- Benzaldehyde,5-dibromo-2-hydroxy-
- BCP06387
- MFCD00003318
- Dembrexine Hydrochloride Monohydrate Imp. C (EP)
- Dembrexine Imp. C (EP)
- 3,5-Dibromo-2-hydroxybenzaldehyde
- Dembrexine Hydrochloride Monohydrate Impurity C
- Dembrexine Impurity C
- BBL023734
- F15422
- STK198699
- BDBM111000
- F0910-0109
- 3,5-dibrom-2-hydroxybenzaldehyd
- NSC-6221
- 3,5-DIBROMOSALICYLALDEHYDE [MI]
- J-511255
- 3,5-Dibromosalicylaldehyde, 98%
- SCHEMBL2120180
- A843591
- LS-24984
- Q27266799
- UNII-7A260PBI3A
- CS-0013288
- AKOS000268598
- EINECS 202-003-4
- BRN 1424739
- SY036779
- US8614253, .3-31
- SR-01000883702
- SR-01000883702-1
- Z57313905
- CHEMBL229251
- 3,5-dibromo-salicylaldehyde
- 3,5-Dibromo-2-hydroxybenzaldehyd
- C7H4Br2O2
- EN300-18188
- AMY31488
- D0188
- 3-08-00-00188 (Beilstein Handbook Reference)
- 2-[4-(dipropylsulfamoyl)benzoyl]oxybenzoic acid
- 3,5-Dibromosalicylaldehyde
- NSC 6221
- 3,5-DIBROMOSALICYLALDEHYDE
- NSC6221
- AC-15254
- 4,6-Dibromo-2-formylphenol
- Dalyde
- NSC 6221
- 3,5-Dibromo-2-hydroxybenzaldehyde (ACI)
- Salicylaldehyde, 3,5-dibromo- (6CI, 7CI, 8CI)
- 1-Formyl-2-hydroxy-3,5-dibromobenzene
- 2,4-Dibromo-6-formylphenol
- 4,6-Dibromo-2-formylphenol
物化性质
实验特性
LogP |
2.72970 |
PSA |
37.30000 |
Merck |
3027 |
折射率 |
1.4970 (estimate) |
水溶性 |
Soluble in methanol 25 mg/mL. Insoluble in water. |
沸点 |
261.2 °C at 760 mmHg |
熔点 |
81.0 to 85.0 deg-C |
闪点 |
111.7 °C |
溶解度 |
methanol: soluble25mg/mL, clear, yellow to brown |
颜色与性状 |
黄色至黄色-棕色结晶粉末 |
敏感性 |
Air Sensitive |
密度 |
1.9661 (rough estimate) |
计算特性
精确分子量 |
277.85800 |
氢键供体数量 |
1 |
氢键受体数量 |
2 |
可旋转化学键数量 |
1 |
同位素质量 |
277.857805 |
重原子数量 |
11 |
复杂度 |
151 |
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 |
4 |
表面电荷 |
0 |
拓扑分子极性表面积 |
37.3 |
海关数据
海关编码 |
2913000090 |
海关数据 |
中国海关编码:
2913000090
概述:
2913000090 品目2912所列产品的其他衍生物〔指卤化,磺化,硝化或亚硝化的衍生物〕. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
Summary:
HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0%
|
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参考资料
Reaxys RN |
1424739 |
Beilstein |
8,55 |
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