4-chlorobenzoyl Chloride
fo-415d2bda4ffbea5c
Identity
- Type
- Neutral molecule
- CAS
- 122-01-0
- EC
- 204-515-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
5- 4-Chlorobenzoic acid chloride
- Benzoyl chloride, 4-chloro-
- Benzoyl chloride, p-chloro-
- p-Chlorobenzoyl chloride
- para-Chlorobenzoyl chloride
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | RKIDDEGICSMIJA-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H4Cl2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H |
| IUPAC name chemrof:IUPAC_name | 4-chlorobenzoyl Chloride |
| Molecular formula chemrof:molecular_formula | C7H4Cl2O |
| Molecular mass chemrof:molecular_mass | 175.014 |
| Monoisotopic mass chemrof:monoisotopic_mass | 173.96392 |
| SMILES string chemrof:smiles_string | O=C(Cl)c1ccc(Cl)cc1 |
Known URLs
12Where 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=122-01-0 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:60716 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.004.106 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4051619 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8UQ7JCV2YP | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J95.365B | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=61241 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/8501 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/13704282 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/7120066 | enrich_references.chebi_xrefs |
| reaxys | reaxys:471606 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q17521019 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 2c8adc61-fe42-4575-884a-c4aafbc3ea39 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| ec6a02ea-d147-472d-8487-7903595f20a3 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 6c82c499-8f96-4884-9fb7-93e773296e10 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| bfef585c-f2e1-4387-8c0d-2966eae6a410 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 08033889-d046-4ec6-bb57-6981c786bb58 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 0a17175d-d210-42e5-8935-7b5be541e89d | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 5284e733-6e57-4581-ad5f-0be08ead677d | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 770285f8-02dc-4061-bb2d-9da917fc605c | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 5c5e75fa-75ef-4beb-8667-7b9e4e02a6cd | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 5f68df13-ab54-43c5-8c2f-a1fa1ef60eea | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 982f235c-49c4-45d4-b0cc-ae6dae9bffe5 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 97e077fd-afa0-4dd4-85c2-4587d2435e05 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 006209d7-6c64-4630-9b24-5419a5cb0e39 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 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