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Nitrogen Trichloride
CAS: 10025-85-1 | Cl3N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10025-85-1
Molecular Formula:
Cl3N
Molecular Mass:
120.37 g/mol
Names and Synonyms:
Nitrogen Trichloride
Nitrogen chloride (NCl3)
Agene
Chlorine nitride
Nitrogen trichloride
Trichloramine
Trichlorine nitride
Trichloroamine
Identifiers:
SMILES:
ClN(Cl)Cl
InChI:
InChI=1S/Cl3N/c1-4(2)3
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 | 120.37 g/mol | CAS Common Chemistry |
| 120.36600000000001 g/mol | RDKit | |
| 118.90963203999999 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Nitrogen_trichloride | CAS Common Chemistry |
| Canonical SMILES | ClN(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/Cl3N/c1-4(2)3 | CAS Common Chemistry |
| InChI Key | InChIKey=QEHKBHWEUPXBCW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Nitrogen trichloride | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 1.7498 | RDKit |
| Molar Refractivity | 19.398 | RDKit |
