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8.22257

Benzoic acid

for synthesis

Synonym(s):

Benzoic acid, Phenylformic acid, Benzene carboxylic acid

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About This Item

Empirical Formula (Hill Notation):
C7H6O2
CAS Number:
Molecular Weight:
122.12
MDL number:
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

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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This Item
PHL800211.001361.93020
grade

synthesis grade

grade

primary reference standard

grade

ACS reagent

grade

ACS reagent

assay

≥99% (acidimetric)

assay

≥98.0% (HPLC)

assay

99.5-100.5% (alkalimetric)

assay

-

Quality Level

200

Quality Level

-

Quality Level

300

Quality Level

200

form

solid

form

crystals

form

solid

form

-

pH

2.5-3.5 (20 °C in H2O, saturated solution)

pH

-

pH

2.5-3.5 (20 °C in H2O, saturated solution)

pH

-

storage temp.

2-30°C

storage temp.

-

storage temp.

2-30°C

storage temp.

room temp


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pictograms

CorrosionHealth hazard

signalword

Danger

Hazard Classifications

Eye Dam. 1 - Skin Irrit. 2 - STOT RE 1 Inhalation

target_organs

Lungs

Storage Class

6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 1



Certificates of Analysis (COA)

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Global Trade Item Number

SKUGTIN
822257010004022536486482
822257500004022536486505
822257100004022536486499

Questions

1–2 of 2 Questions  
  1. How can I determine the shelf life / expiration / retest date of this product?

    1 answer
    1. If this product has an expiration or retest date, it will be shown on the Certificate of Analysis (COA, CofA). If there is no retest or expiration date listed on the product's COA, we do not have suitable stability data to determine a shelf life. For these products, the only date on the COA will be the release date; a retest, expiration, or use-by-date will not be displayed.
      For all products, we recommend handling per defined conditions as printed in our product literature and website product descriptions. We recommend that products should be routinely inspected by customers to ensure they perform as expected.
      For products without retest or expiration dates, our standard warranty of 1 year from the date of shipment is applicable.
      For more information, please refer to the Product Dating Information document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/418/501/product-dating-information-06-25-mk.pdf

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  2. How is shipping temperature determined? And how is it related to the product storage temperature?

    1 answer
    1. Products may be shipped at a different temperature than the recommended long-term storage temperature. If the product quality is sensitive to short-term exposure to conditions other than the recommended long-term storage, it will be shipped on wet or dry-ice. If the product quality is NOT affected by short-term exposure to conditions other than the recommended long-term storage, it will be shipped at ambient temperature. As shipping routes are configured for minimum transit times, shipping at ambient temperature helps control shipping costs for our customers. For more information, please refer to the Storage and Transport Conditions document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/316/622/storage-transport-conditions-mk.pdf

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