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Merck
CN

10400

Aniline

puriss. p.a., ACS reagent, ≥99.5% (GC)

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About This Item

Linear Formula:
C6H5NH2
CAS Number:
62-53-3
Molecular Weight:
93.13
EC Number:
200-539-3
UNSPSC Code:
12352100
PubChem Substance ID:
24846633
Beilstein/REAXYS Number:
605631
MDL number:
MFCD00007629

Key Documents

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vapor density

3.22 (185 °C, vs air)

vapor pressure

0.7 mmHg ( 25 °C)

grade

ACS reagent, puriss. p.a.

assay

≥99.5% (GC)

autoignition temp.

1139 °F

expl. lim.

11 %

impurities

hydrocarbons, in accordance, ≤0.003% nitrobenzene (C6H5NO2), ≤0.1% water

ign. residue

≤0.005%

refractive index

n20/D 1.586

bp

184 °C (lit.)

mp

−6 °C (lit.)

density

1.022 g/mL at 25 °C (lit.)

cation traces

Ca: ≤5 mg/kg, Cd: ≤1 mg/kg, Co: ≤1 mg/kg, Cr: ≤1 mg/kg, Cu: ≤1 mg/kg, Fe: ≤1 mg/kg, K: ≤20 mg/kg, Mg: ≤1 mg/kg, Mn: ≤1 mg/kg, Na: ≤20 mg/kg, Ni: ≤1 mg/kg, Pb: ≤1 mg/kg, Zn: ≤1 mg/kg

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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General description

Material darkens in storage to reddish-brown with no loss in purity.

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.

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)

Lot/Batch Number
BCBF0294V
BCBD8586V
BCBB3013V
BCBC8487V
BCBC8487

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Gabriella Fabian et al.
International journal of molecular sciences, 12(9), 6116-6134 (2011-10-22)
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New synthetic protocol for the preparation of nucleoside 5'-(N-aryl)phosphoramidate monoesters 4 was developed. It consisted of a condensation of the corresponding nucleoside 5'-H-phosphonates with aromatic- or heteroaromatic amines promoted by diphenyl phosphorochloridate, followed by oxidation of the produced H-phosphonamidates with
Sylvie Mavel et al.
Bioorganic & medicinal chemistry, 20(4), 1388-1395 (2012-02-04)
The dopamine transporter (DAT) plays a pivotal role in the regulation of dopamine neurotransmission, and is involved in a number of physiological functions and brain disorders. Furthermore the DAT analysis by molecular imaging techniques is a useful tool for the
The many roles for fluorine in medicinal chemistry.
William K Hagmann
Journal of medicinal chemistry, 51(15), 4359-4369 (2008-06-24)
Masaaki Fujikawa et al.
Bioorganic & medicinal chemistry, 15(11), 3756-3767 (2007-04-10)
We previously reported a classical quantitative structure-activity relationship (QSAR) equation for permeability coefficients (P(app-pampa)) by parallel artificial membrane permeation assay (PAMPA) of structurally diverse compounds with simple physicochemical parameters, hydrophobicity at a particular pH (logP(oct) and |pK(a)-pH|), hydrogen-accepting ability (SA(HA))
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Global Trade Item Number

SKUGTIN
287792-5G04061837719110
287792-1G04061826266373

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