Molecular properties
- Formula
- C7H5NO
- Molar mass
- 119.12 g·mol−1
- Exact mass
- 119.0371 Da
- 6
- PubChem CID
- 7672
Molecule record
isocyanatobenzene
C7H5NO
119.12 g/mol
Loading structure
Functional groups
Aromatic ring
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 103-71-9
- 196GO6BSOH
- 203-137-6
- Benzene, isocyanato-
- CHEBI:53806
- Carbanil
- DTXCID1030070
- DTXSID5051521
Show all 24 synonyms
- EINECS 203-137-6
- Fenylisokyanat
- Fenylisokyanat [Czech]
- HSDB 5356
- Isocyanic acid, phenyl ester
- Karbanil
- Karbanil [Czech]
- Mondur P
- NSC-74454
- PHENYL ISOCYANATE
- PhNCO
- Phenyl carbonimide
- Phenylcarbimide
- RefChem:172961
- isocyanato-benzene
- phenylisocyanate
Structure identifiers
- Canonical SMILES
- O=C=Nc1ccccc1
- Isomeric SMILES
- C1=CC=C(C=C1)N=C=O
- InChI
- InChI=1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H
- InChIKey
- DGTNSSLYPYDJGL-UHFFFAOYSA-N
- PubChem CID
- 7672
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for isocyanatobenzene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for isocyanatobenzene; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.