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Safety Information

339822

Sigma-Aldrich

(S)-α-Methyl-4-nitrobenzylamine hydrochloride

97%

Synonym(s):

(S)-1-(4-Nitrophenyl)ethylamine hydrochloride

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About This Item

Linear Formula:
O2NC6H4CH(CH3)NH2 · HCl
CAS Number:
Molecular Weight:
202.64
MDL number:
UNSPSC Code:
12352116
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

97%

form

powder

optical activity

[α]25/D −6.5°, c = 1 in 0.05 M NaOH

mp

248-250 °C (lit.)

functional group

amine
nitro

SMILES string

Cl.C[C@H](N)c1ccc(cc1)[N+]([O-])=O

InChI

1S/C8H10N2O2.ClH/c1-6(9)7-2-4-8(5-3-7)10(11)12;/h2-6H,9H2,1H3;1H/t6-;/m0./s1

InChI key

CZQQGVFHLSBEDV-RGMNGODLSA-N

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Application

(S)-α-Methyl-4-nitrobenzylamine hydrochloride can be used as:
  • A fluorescence-quenching guest in the determination of chiral recognition capabilities of binaphthocrown ether and polythiophene complex.
  • A starting material in the synthesis of chiral cyclopalladated complexes with applications in the resolution of racemic compounds.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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.

JAN Code

339822-BULK:
339822-1G:
339822-VAR:
339822-250MG:


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The first orthopalladation of a primary nitrobenzylamine. Synthesis of chiral cyclopalladated complexes derived from (S)-α-methyl-4-nitrobenzylamine
Vicente J, et al.
J. Chem. Soc., Dalton Trans., 47(15), 2535-2539 (1995)

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