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491799

Sigma-Aldrich

Aniline-1-13C

99 atom % 13C

Synonym(s):

Benzenamine-1-13C

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About This Item

Empirical Formula (Hill Notation):
13CC5H7N
CAS Number:
18960-62-8
Molecular Weight:
94.12
MDL number:
MFCD01075583
UNSPSC Code:
12352202
PubChem Substance ID:
24872684

isotopic purity

99 atom % 13C

Quality Level

200

Assay

99% (CP)

refractive index

n20/D 1.586 (lit.)

bp

184 °C (lit.)

mp

−6 °C (lit.)

density

1.033 g/mL at 25 °C

mass shift

M+1

storage temp.

2-8°C

SMILES string

N[13c]1ccccc1

InChI

1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2/i6+1

InChI key

PAYRUJLWNCNPSJ-PTQBSOBMSA-N

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Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Carc. 2 - Eye Dam. 1 - Muta. 2 - Resp. Sens. 1

Storage Class Code

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

WGK

WGK 3

Flash Point(F)

158.0 °F - closed cup

Flash Point(C)

70 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
EB2439
TV0694
13975HS
12878EU
IS0606

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Timo Stahl et al.
Journal of the American Chemical Society, 135(4), 1248-1251 (2013-01-15)
Heterolytic splitting of the Si-H bond mediated by a Ru-S bond forms a sulfur-stabilized silicon cation that is sufficiently electrophilic to abstract fluoride from CF(3) groups attached to selected anilines. The ability of the Ru-H complex, generated in the cooperative
Chia-Chi Su et al.
Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering, 48(9), 1012-1018 (2013-04-12)
This study was undertaken to investigate the feasibility of applying the Fered-Fenton process to the degradation of m-phenylenediamine, by examining the effect of varying the initial H2O2 and Fe(2+) concentrations, the initial pH and electric current on the process efficiency.
Ronald Besandre et al.
Organic letters, 15(7), 1666-1669 (2013-03-15)
N-substituted indoles are synthesized from primary amines through a tandem reaction sequence. Initial condensation of the amine with an α-(o-haloaryl)ketone or aldehyde is followed by intramolecular aryl amination catalyzed by CuI. A variety of anilines and alkyl amines, including those
Yu Qian et al.
Chemical communications (Cambridge, England), 49(26), 2700-2702 (2013-02-26)
An enantioselective four-component reaction of a diazoketone, water, an aniline and ethyl glyoxylate in the presence of catalytic Rh2(OAc)4 and a chiral Brønsted acid was developed to efficiently produce β-hydroxy-α-amino acid derivatives in good yields with high diastereoselectivity and enantioselectivity.
B V Subba Reddy et al.
The Journal of organic chemistry, 77(24), 11355-11361 (2012-12-05)
A domino cycloisomerization/Pictet-Spengler reaction of 2-(4-aminobut-1-yn-1-yl)aniline with aldehydes has been achieved using a AuIPrCl (5 mol %)/AgSbF(6) (10 mol %) catalytic system to produce the corresponding 1-aryl-N-tosyl-2,3,4,5-tetrahydropyrido[4,3-b] indole derivatives in good yields. This is the first report on the synthesis
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