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Merck
CN

45326

Aniline

PESTANAL®, analytical standard

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About This Item

Linear Formula:
C6H5NH2
CAS Number:
Molecular Weight:
93.13
EC Number:
200-539-3
UNSPSC Code:
41116107
PubChem Substance ID:
Beilstein/REAXYS Number:
605631
MDL number:
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grade

analytical standard

vapor density

3.22 (185 °C, vs air)

vapor pressure

0.7 mmHg ( 25 °C)

product line

PESTANAL®

autoignition temp.

1139 °F

expl. lim.

11 %

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

refractive index

n20/D 1.586 (lit.)

bp

184 °C (lit.)

mp

−6 °C (lit.)

density

1.022 g/mL at 25 °C (lit.)

application(s)

agriculture
environmental

format

neat

SMILES string

Nc1ccccc1

InChI

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

InChI key

PAYRUJLWNCNPSJ-UHFFFAOYSA-N

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Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Biochem/physiol Actions

The acute toxicity of aniline involves its activation in vivo to 4-hydroxyaniline and the formation of adducts with hemoglobin. In erythrocytes, this is associated with the release of iron and the accumulation of methemoglobin and the development of hemolytic anemia and inflammation of the spleen. Tumor formation is often observed in the spleen on prolonged administration.

Legal Information

PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

signalword

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 - Skin Sens. 1 - STOT RE 1

target_organs

Blood

Storage Class

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

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

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M Peluso et al.
Carcinogenesis, 21(2), 183-187 (2000-02-05)
The 'Mediterranean diet', a diet rich in cereals, fruit and vegetables, has been associated with lowering the risk of a variety of cancers of the digestive tract and the bladder. In a previous study, we showed that the high phenolic
J S Bus et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 25(8), 619-626 (1987-08-01)
Aniline and several structurally-related aromatic amines produce spleen tumours in rats given high doses of compound in 2-year bioassay studies. Evaluation of the pathogenesis of the splenic lesions and characterization of the disposition of radiolabelled aniline in animals suggests that
S A Vaziri et al.
Pharmacogenetics, 11(1), 7-20 (2001-02-24)
Arylamines such as 2-naphthylamine and 4-aminobiphenyl are suspected human bladder procarcinogens that require bioactivation to DNA-reactive species to exert their carcinogenic potential. The goals of the present study were (i) to assay for the presence of the arylamine acetyltransferases NAT1
Conghui Tang et al.
Journal of the American Chemical Society, 134(46), 18924-18927 (2012-11-08)
A novel and efficient copper-catalyzed azidation reaction of anilines via C-H activation has been developed. This method, in which the primary amine acts as a directing group by coordinating to the metal center, provides ortho azidation products regioselectively under mild
Dongdong Liang et al.
Chemical communications (Cambridge, England), 49(2), 173-175 (2012-11-22)
An efficient synthesis of free (NH)-phenanthridinones through Pd-catalyzed C(sp(2))-H aminocarbonylation of unprotected o-arylanilines under an atmospheric pressure of CO has been developed. Some ortho heteroarene substituted anilines as well as N-alkyl protected o-arylanilines are also suitable substrates for this C-H

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