1.00134
Benzoic acid
standard for elemental analysis
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
NACRES:
NA.21
EC Index Number:
200-618-2
Form:
solid
vapor pressure
0.001 hPa ( 20 °C)
Quality Segment
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
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
Application
- 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 and Dudareva, 2015).
- 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).
Analysis Note
C (Carbon): 68.8
H (Hydrogen): 5.0
O (Oxygen): 26.2
Suitable for determination of C, H, O
H (Hydrogen): 5.0
O (Oxygen): 26.2
Suitable for determination of C, H, O
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Danger
Hazard Classifications
Eye Dam. 1 - Skin Irrit. 2 - STOT RE 1 Inhalation
target_organs
Lungs
flash_point_f
Not applicable
flash_point_c
Not applicable
hcodes
存储类别
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects