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C27409

Sigma-Aldrich

4-Chlorobenzylamine

98%

Synonym(s):

(4-Chlorophenyl)methanamine, (4-Chlorophenyl)methylamine, (p-Aminomethyl)phenyl chloride, (p-Chlorophenyl)methylamine, 1-(4-Chlorophenyl)methanamine, 4-Chlorobenzenemethanamine, p-Chlorobenzenemethanamine, p-Chlorobenzylamine

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About This Item

Linear Formula:
ClC6H4CH2NH2
CAS Number:
104-86-9
Molecular Weight:
141.60
Beilstein:
507949
EC Number:
203-245-3
MDL number:
MFCD00008121
UNSPSC Code:
12352100
PubChem Substance ID:
24892522
NACRES:
NA.22

Quality Level

100

Assay

98%

form

liquid

refractive index

n20/D 1.558 (lit.)

bp

215 °C (lit.)

density

1.164 g/mL at 25 °C (lit.)

SMILES string

NCc1ccc(Cl)cc1

InChI

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

InChI key

YMVFJGSXZNNUDW-UHFFFAOYSA-N

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Pictograms

CorrosionExclamation mark
GHS05,GHS07

Signal Word

Danger

Hazard Statements

H302 + H312,H314

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Eye Dam. 1 - Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

194.0 °F - closed cup

Flash Point(C)

90 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
STBK6064
STBH1967
STBH0945
STBF7502V
STBD5764V

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S-benzylisothiourea 3a was discovered by its ability to inhibit indoleamine-2,3-dioxygenase (IDO) in our screening program. Subsequent optimization of the initial hit 3a lead to the identification of sub-muM inhibitors 3r and 10h, both of which suppressed kynurenine production in A431

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