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Safety Information

259179

Sigma-Aldrich

3,4-Dichlorobenzyl chloride

97%

Synonym(s):

α,3,4-Trichlorotoluene

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About This Item

Linear Formula:
Cl2C6H3CH2Cl
CAS Number:
102-47-6
Molecular Weight:
195.47
Beilstein:
386644
EC Number:
203-033-0
MDL number:
MFCD00000906
UNSPSC Code:
12352100
PubChem Substance ID:
24855690
NACRES:
NA.22

Quality Level

100

Assay

97%

form

liquid

refractive index

n20/D 1.577 (lit.)

bp

122-124 °C/14 mmHg (lit.)

density

1.411 g/mL at 25 °C (lit.)

functional group

chloro

SMILES string

ClCc1ccc(Cl)c(Cl)c1

InChI

1S/C7H5Cl3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2

InChI key

YZIFVWOCPGPNHB-UHFFFAOYSA-N

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Application

3,4-Dichlorobenzyl chloride has been used:
  • in Friedel-Crafts synthesis of 4-(3,4-dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone, a key intermediate for the synthesis of sertraline
  • as alkylating agent in synthesis of poly(ether ketone)s having pendant sulfonic acid groups
  • in preparation of 5,6-dichloro-2-(3,4-dichlorobenzylthio)benzimidazole

Pictograms

CorrosionExclamation mark
GHS05,GHS07

Signal Word

Danger

Hazard Statements

H314,H335

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

259179-100G:
259179-25G:
259179-VAR:
259179-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCN1655
STBC5970V
MKBB4594V
STBB7125
MKBB7393

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Syntheses of branched poly (ether ketone) s with pendant functional groups based on 1, 1, 1-tris (4-hydroxyphenyl) ethane.
Fritsch D, et al.
Journal of Macromolecular Science, Part A: Pure and Applied Chemistry, 39(11), 1335-1347 (2002)
Friedel-Crafts synthesis of 4-(3, 4-dichlorophenyl)-3, 4-dihydro-1 (2H)-naphthalenone, a key intermediate in the preparation of the antidepressant sertraline.
Quallich GJ, et al.
The Journal of Organic Chemistry, 55(16), 4971-4973 (1990)
Zygmunt Kazimierczuk et al.
Acta biochimica Polonica, 49(1), 185-195 (2002-07-26)
Two series of benzimidazole derivatives were sythesised. The first one was based on 5,6-dinitrobenzimidazole, the second one comprises 2-thioalkyl- and thioaryl-substituted modified benzimidazoles. Antibacterial and antiprotozoal activity of the newly obtained compounds was studied. Some thioalkyl derivatives showed remarkable activity

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