Back to Search
Molecule
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
Identifiers
CAS Registry Number
10025-85-1
SMILES
ClN(Cl)Cl
InChI Key
QEHKBHWEUPXBCW-UHFFFAOYSA-N
InChI
InChI=1S/Cl3N/c1-4(2)3
Names and Synonyms
- Nitrogen Trichloride Common Name
- Nitrogen chloride (NCl3) Synonym
- Agene Synonym
- Chlorine nitride Synonym
- Nitrogen trichloride Synonym
- Trichloramine Synonym
- Trichlorine nitride Synonym
- Trichloroamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 120.37 g/mol | CAS Common Chemistry |
| 120.36600000000001 g/mol | RDKit | |
| 120.366 g/mol | RDKit | |
| 120.357 g/mol | chempirical lib | |
| 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 |
| 3.01 Ų | chempirical lib | |
| LogP | 1.7498 | RDKit |
| 1.59 | chempirical lib | |
| Molar Refractivity | 19.398 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 118.90963203999999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 120.37 g/mol. Edit any field — others recompute live.
