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8.01809

Benzyl chloride

for synthesis

Sinónimos:

Benzyl chloride

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Fórmula empírica (notación de Hill):
C7H7Cl
Número CAS:
100-44-7
Peso molecular:
126.58
UNSPSC Code:
12352101
EC Index Number:
202-853-6
NACRES:
NA.22
MDL number:
MFCD00000889
Assay:
≥99.0% (GC)
Form:
liquid
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vapor pressure

1.2 hPa ( 20 °C)

Quality Segment

200

assay

≥99.0% (GC)

form

liquid

autoignition temp.

585 °C

potency

440 mg/kg LD50, oral (Rat)

expl. lim.

1.1-14 % (v/v)

bp

179.3 °C/1013 hPa

mp

-39 °C

transition temp

flash point 67 °C

solubility

460 mg/L

density

1.10 g/cm3 at 20 °C

storage temp.

2-30°C

SMILES string

ClCc1ccccc1

InChI

1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2

InChI key

KCXMKQUNVWSEMD-UHFFFAOYSA-N

Application

  • Research on the Oxidative Chlorination of Toluene to Benzyl Chloride by Chloride Ion: This study explores the preparation of benzyl chloride through oxidative chlorination under LED blue light, achieving a 40% yield (Y Bai, X Cheng, A Zheng, H Shen, 2019).
  • Tertiary amines nucleophilicity in quaternization reaction with benzyl chloride: Investigates the kinetics of the quaternization reaction of tertiary amines with benzyl chloride, providing insights into reaction mechanisms and conditions (KS Yutilova, SG Bakhtin, OM Shved, et al., 2015).
  • Synthesis and inhibition profiles of N-benzyl-and N-allyl aniline derivatives against carbonic anhydrase and acetylcholinesterase–A molecular docking study: Focuses on the synthesis of N-benzyl derivatives and their biological activity, utilizing benzyl chloride as a key intermediate in the synthesis process (I Mahmudov, Y Demir, Y Sert, Y Abdullayev, et al., 2022).

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.099 - 1.100
Identity (IR): passes test

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Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Carc. 1B - Eye Dam. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT RE 2 Oral - STOT SE 3

target_organs

Heart,forestomach, Respiratory system

Clase de almacenamiento

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

flash_point_f

152.6 °F - closed cup

flash_point_c

67 °C - closed cup

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Questions

1–3 of 3 Questions  

  1. Does the Material contain stabiliser?

    1 answer

    1. This product does not contain a stabilizer.

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  2. 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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  3. 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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