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Merck
CN

8.22256

Aniline

for synthesis

Synonym(s):

Aniline, Aminobenzene, Phenylamine, Benzenamine

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About This Item

Empirical Formula (Hill Notation):
C6H7N
CAS Number:
Molecular Weight:
93.13
UNSPSC Code:
12352116
EC Index Number:
200-539-3
NACRES:
NA.22
MDL number:
Assay:
≥99.0% (GC)
Grade:
synthesis grade
Bp:
184 °C/1013 hPa
Vapor pressure:
0.5 hPa ( 20 °C)
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grade

synthesis grade

Quality Level

vapor pressure

0.5 hPa ( 20 °C)

assay

≥99.0% (GC)

form

liquid

autoignition temp.

540 °C

potency

840 mg/kg LD50, skin (Rabbit)

expl. lim.

1.2-11 % (v/v)

dilution

(for synthesis)

pH

8.8 (20 °C, 36 g/L in H2O)

bp

184 °C/1013 hPa

mp

-6.2 °C

transition temp

flash point 76 °C

solubility

36 g/L

density

1.02 g/cm3 at 20 °C

storage temp.

2-30°C

SMILES string

Nc1ccccc1

InChI

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

InChI key

PAYRUJLWNCNPSJ-UHFFFAOYSA-N

Application

  • One pot conversion of phenols and anilines to aldehydes and ketones: Exploiting α gem boryl carbanions, this study offers a method compatible with a diverse range of phenols and anilines, facilitating simpler synthetic pathways in organic chemistry (Das et al., 2024).
  • In-silico-assisted derivatization of triarylboranes: This research discusses a catalytic method for the reductive alkylation of aniline-derived amino acids, improving functional-group compatibility in peptide modification (Hisata et al., 2024).
  • C–heteroatom coupling with electron-rich aryls: Utilizing nickel catalysis and light, this method enhances the synthesis of anilines and aryl ethers, contributing to more efficient organic synthesis processes (Cornella et al., 2024).

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.020 - 1.022
Identity (IR): passes test


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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

Regulatory Information

新产品

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Global Trade Item Number

SKUGTIN
822256100004022536486444
822256010004022536486437
822256500004022536486451