Back to Search
Resorcinol
CAS: 108-46-3 | C6H6O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
108-46-3
Molecular Formula:
C6H6O2
Molecular Mass:
110.11 g/mol
Names and Synonyms:
Resorcinol
1,3-Benzenediol
Resorcinol
C.I. 76505
m-Benzenediol
C.I. Developer 4
C.I. Oxidation Base 31
Developer O
Developer R
Developer RS
Durafur Developer G
Fouramine RS
Fourrine 79
Fourrine EW
Nako TGG
Pelagol Grey RS
Pelagol RS
Resorcin
1,3-Dihydroxybenzene
m-Hydroquinone
m-Hydroxyphenol
3-Hydroxyphenol
Reso
m-Phenylenediol
RS 11H
RS 11L
m-Dihydroxybenzene
m-Hydroxyphenol
Rodol RS
NSC 1571
Redimix 401RAP60
Rezorsine
Resorcinol 80
1,3-Phenylenediol
m-Resorcinol
Cohedur RS
KH 8420
Identifiers:
SMILES:
Oc1cccc(O)c1
InChI:
InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
Key Properties
Boiling Point
280 °C
CAS Common Chemistry
Melting Point
109-111 °C
CAS Common Chemistry
Density
1.27 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 110.11 g/mol | CAS Common Chemistry |
| 110.11199999999998 g/mol | RDKit | |
| 110.036779432 g/mol | RDKit | |
| Density | 1.27 g/cm³ | CAS Common Chemistry |
| 1.2717 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Resorcinol | CAS Common Chemistry |
| Boiling Point | 280 °C | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=CC(O)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H | CAS Common Chemistry |
| InChI Key | InChIKey=GHMLBKRAJCXXBS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 109-111 °C | CAS Common Chemistry |
| Name | Resorcinol | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 1.0977999999999999 | RDKit |
| Molar Refractivity | 29.771599999999992 | RDKit |
