1-chloro-4-isocyanatobenzene
fo-7e1b0076ac94662c
Identity
- Type
- Neutral molecule
- CAS
- 104-12-1
- EC
- 203-176-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
7- 1-Isocyanato-4-chlorobenzene
- 4-Chloro-1-isocyanatobenzene
- 4-Chloroisocyanatobenzene
- 4-Chlorophenyl isocyanate
- Benzene, 1-chloro-4-isocyanato-
- Isocyanic acid, p-chlorophenyl ester
- p-Chlorophenyl isocyanate
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | ADAKRBAJFHTIEW-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H |
| IUPAC name chemrof:IUPAC_name | 1-chloro-4-isocyanatobenzene |
| Molecular formula chemrof:molecular_formula | C7H4ClNO |
| Molecular mass chemrof:molecular_mass | 153.568 |
| Monoisotopic mass chemrof:monoisotopic_mass | 152.998141 |
| SMILES string chemrof:smiles_string | O=C=Nc1ccc(Cl)cc1 |
Known URLs
10Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=104-12-1 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.888 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7040732 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=76589 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1865294 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/W46XL60WI8 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J30.180I | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7693 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2206 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q26840784 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 93940093-6eef-44c8-b5f3-b8bcc707ac04 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 8d10f2ca-85ea-4f3d-80d5-9eac499f81df | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 8e13fd5e-f88d-4b42-b069-936e54aaad53 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| f901f609-97d1-4bb1-91c0-12d0e1e577e9 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 58fc1f58-2bc4-472f-be18-939a30b1adce | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 06741a54-4eb1-48db-9dd5-cf386f5a701c | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 42401e81-7614-4976-be4d-f80fb1f0cb1d | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 0f0a4f00-fe20-430a-8d05-4abba4d66a89 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 484fb92b-e2d5-485e-93f6-9fcae8ef5425 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 90190cc7-917a-4f74-85c8-f3fecffb75e5 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| a29f61c5-d217-4a1f-954d-3d0373236b20 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 58a51985-65d5-452a-988d-75ade8a8419b | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| abe8eb74-e8c2-49b0-bb79-5f4d17248f1e | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
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}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works