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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:
65-85-0
分子量:
122.12
MDL number:
MFCD00002398
UNSPSC Code:
12352106
EC Index Number:
200-618-2
NACRES:
NA.22
Assay:
≥99% (acidimetric)
Form:
solid
Grade:
synthesis grade
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grade

synthesis grade

Quality Level

200

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

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

  • 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).

Analysis Note

Assay (acidimetric): ≥ 99.0 %
Melting range (lower value): ≥ 122 °C
Melting range (upper value): ≤ 125 °C
Identity (IR): passes test

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pictograms

CorrosionHealth hazard
GHS05,GHS08

signalword

Danger

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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全球贸易项目编号

货号GTIN
822257010004022536486482
822257500004022536486505
822257100004022536486499