8.01756
苯甲醛
for synthesis
别名:
苯甲醛
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关于此项目
经验公式（希尔记法）:
C7H6O
化学文摘社编号:
分子量:
106.12
UNSPSC Code:
12352114
EC Index Number:
202-860-4
NACRES:
NA.22
MDL number:
Grade:
synthesis grade
Assay:
≥99.0% (GC)
Bp:
179 °C/1013 hPa
Vapor pressure:
1.3 hPa ( 20 °C)
产品名称
苯甲醛, for synthesis
SMILES string
O=Cc1ccccc1
InChI
1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
InChI key
HUMNYLRZRPPJDN-UHFFFAOYSA-N
grade
synthesis grade
vapor pressure
1.3 hPa ( 20 °C)
assay
≥99.0% (GC)
form
liquid
autoignition temp.
190 °C
potency
1300 mg/kg LD50, oral (Rat)
>1250 mg/kg LD50, skin (Rabbit)
expl. lim.
1.4-8.5 % (v/v)
dilution
(for synthesis)
pH
5.9 (1 g/L in H2O)
bp
179 °C/1013 hPa
mp
-26 °C
transition temp
flash point 64 °C
solubility
3.3 g/L
density
1.05 g/cm3 at 20 °C
storage temp.
2-30°C
Quality Level
Analysis Note
含量测定（GC，面积%）： ≥ 99.0 %（a/a）
密度（d 20 °C/ 4 °C）：1.044 - 1.046
鉴别（IR）：符合检验
密度（d 20 °C/ 4 °C）：1.044 - 1.046
鉴别（IR）：符合检验
Application
苯甲醛可作为反应物：
- β与各种芳基酮和胺通过Cu纳米颗粒催化的一锅三组分Mannich反应合成-氨基酮衍生物。
- 以葑酮衍生物为催化剂，通过二乙基锌的不对称加成反应合成对映选择性1-苯基-1-丙醇。
- 与硼基格氏试剂（硼基镁）反应合成苯甲酰硼烷。
- 与丙二酸二乙酯通过哌啶催化的反应合成苯亚甲基丙二酸二乙酯。
signalword
Danger
Hazard Classifications
Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Irrit. 2 - Repr. 1B - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 1
flash_point_f
145.4 °F - closed cup
flash_point_c
63 °C - closed cup
Novel one-pot Cu-nanoparticles-catalyzed Mannich reaction
Kidwai M, et al.
Tetrahedron Letters, 50(12), 1355-1358 (2009)
Reactions under microwave conditions
Tetrahedron Organic Chemistry Series (2005)
Synthesis, structure of borylmagnesium, and its reaction with benzaldehyde to form benzoylborane.
Makoto Yamashita et al.
Journal of the American Chemical Society, 129(31), 9570-9571 (2007-07-17)
B Goldfuss et al.
The Journal of organic chemistry, 65(1), 77-82 (2000-05-18)
Three (-)-fenchyl alcohol derivatives, ¿(1R,2R,4S)-exo-(2-Ar)-1,3, 3-trimethylbicyclo[2.2.1] heptan-2-ol, Ar = o-anisyl (2), 2-N-methylimidazolyl (3), 2-N,N-dimethylbenzylamine (4)¿ were synthesized, characterized by X-ray analyses, and employed as precatalysts in diethyl zinc additions to benzaldehyde. Directions and relative degrees of enantioselectivities are rationalized by
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