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127167

Sigma-Aldrich

3-Chlorobenzylamine

98%

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About This Item

Linear Formula:
ClC6H4CH2NH2
CAS Number:
4152-90-3
Molecular Weight:
141.60
EC Number:
223-985-0
MDL number:
MFCD00040752
UNSPSC Code:
12352100
PubChem Substance ID:
24847767
NACRES:
NA.22

Assay

98%

form

liquid

refractive index

n20/D 1.559 (lit.)

bp

110-112 °C/17 mmHg (lit.)

density

1.159 g/mL at 25 °C (lit.)

functional group

amine
chloro

SMILES string

NCc1cccc(Cl)c1

InChI

1S/C7H8ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2

InChI key

BJFPYGGTDAYECS-UHFFFAOYSA-N

General description

3-Chlorobenzylamine undergoes reductive amination during dihydroquinolone synthesis. It is used in the synthesis of N- (3-chlorobenzyl) toluene-p-sulphonamide.

Pictograms

Corrosion
GHS05

Signal Word

Danger

Hazard Statements

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

208.4 °F - closed cup

Flash Point(C)

98 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCR6460
MKCP9502
MKCK9598
MKBZ2680V
MKBP6445V

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Stefan Jaroch et al.
Bioorganic & medicinal chemistry letters, 13(12), 1981-1984 (2003-06-05)
Dihydroquinolines with aminoalkyl side chains have been synthesized and have been shown to be potent n-NOS inhibitors. A marked selectivity versus e-NOS of up to approximately 300-fold was observed, whereas i-NOS was moderately inhibited.
Rates of reaction of benzylamines with 1-chloro-2, 4-dinitrobenzene and with toluene-p-sulphonyl chloride.
Journal of the Chemical Society B: Physical Organic, 466-468 (1966)
E Farcaş et al.
Analytica chimica acta, 1034, 214-222 (2018-09-09)
Only few reports describe the use of capillary electrophoresis in the context of Fragment Based Drug Discovery (FBDD). In this paper, we will present a generic, fully automated, microscale electrophoretic mobility shift displacement assay that can be used in FBDD

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