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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

Currently viewing:
IUPAC name:
aniline

Inventory

EC number:
200-539-3
EC name:
Aniline
CAS number:
62-53-3
CAS number:
62-53-3
Synonyms
Names:
Aminobenzene
Benzenamine
Phenylamine
aminobenzene
benzeneamine
phenylamine aminobenzene
Identifier:
IUPAC name
aminobenzene
Identifier:
IUPAC name
benzeneamine
Identifier:
IUPAC name
phenylamine
Identifier:
other: InChl
1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
Identifier:
other:
Aminobenzene
Identifier:
other:
Benzenamine
Identifier:
other: SMILES notation
C1=CC=C(C=C1)N
Identifier:
other: Molecular formula
C6 H7N
Identifier:
other: InChl
InChI=1/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
Identifier:
other: SMILES notation
Nc1ccccc1
aniline

Molecular and structural information

Molecular formula:
C6H7N
Molecular weight:
ca. 93.128
SMILES notation:
c1(ccccc1)N
InChl:
InChI=1/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2

AuxInfo=1/0/N:7,5,6,2,3,1,4/E:(2,3)(4,5)/rA:7nCCCNCCC/rB:d1;s1;s1;s2;d3;d5s6;/rC:-1.0931,0,0;-.3276,-1.331,0;-.3276,1.331,0;-2.6414,0,0;1.2034,-1.331,0;1.2034,1.331,0;1.9828,0,0;
Structural formula:
Chemical structure

Related substances

Identifier:
IUPAC name
Identity:
unknown impurities