8.22257
Benzoic acid
for synthesis
别名:
Benzoic acid, Phenylformic acid, Benzene carboxylic acid
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关于此项目
经验公式（希尔记法）:
C7H6O2
化学文摘社编号:
分子量:
122.12
MDL number:
UNSPSC Code:
12352106
EC Index Number:
200-618-2
NACRES:
NA.22
产品名称
Benzoic acid, for synthesis
SMILES string
[O-]C(=O)c1ccccc1.[H+]
InChI
1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
InChI key
WPYMKLBDIGXBTP-UHFFFAOYSA-N
grade
synthesis grade
vapor pressure
0.001 hPa ( 20 °C)
assay
≥99% (acidimetric)
form
solid
autoignition temp.
570 °C
potency
1700 mg/kg LD50, oral (Rat)
>5000 mg/kg LD50, skin (Rabbit)
pH
2.5-3.5 (20 °C in H2O, saturated solution)
bp
249 °C/1013 hPa
mp
121-123 °C
transition temp
flash point 121 °C
density
1.321 g/cm3 at 20 °C
bulk density
500 kg/m3
storage temp.
2-30°C
Quality Level
相关类别
Analysis Note
Assay (acidimetric): ≥ 99.0 %
Melting range (lower value): ≥ 122 °C
Melting range (upper value): ≤ 125 °C
Identity (IR): passes test
Melting range (lower value): ≥ 122 °C
Melting range (upper value): ≤ 125 °C
Identity (IR): passes test
Application
- Paper Title: A familiar ring to it: biosynthesis of plant benzoic acids - This study explores the biosynthetic pathways leading to benzoic acid in plants, important for understanding plant metabolism and engineering synthetic pathways for production of benzoic acid derivatives (Widhalm & Dudareva, 2015).
- Paper Title: Pd (II)-catalysed meta-C–H functionalizations of benzoic acid derivatives - Describes a method for the meta-C–H functionalization of benzoic acid derivatives, which could be pivotal for synthetic chemistry applications (Li et al., 2016).
signalword
Danger
hcodes
Hazard Classifications
Eye Dam. 1 - Skin Irrit. 2 - STOT RE 1 Inhalation
target_organs
Lungs
存储类别
6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 1
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