2-chloro-1-phenylethanone
fo-a8cac37e9a35adf2
Identity
- Type
- Neutral molecule
- CAS
- 532-27-4
- EC
- 208-531-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
24- (2-Chloro-1-oxoethyl)benzene
- (Chloroacetyl)benzene
- 1-Phenyl-2-chloro-1-ethanone
- 2-Chloro-1-phenyl-1-ethanone
- 2-Chloroacetophenone
- Acetophenone, 2-chloro-
- Acetophenone, α-chloro-
- Agent CNB
- Agent CNC
- Benzoylmethyl chloride
- Chloracetophenone
- Chloroacetophenone
- Chloromethyl phenyl ketone
- CN (lacrimator)
- CNB
- CNB (chemical warfare agent)
- CNC
- Ethanone, 2-chloro-1-phenyl-
- Mace
- Mace (lacrimator)
- Phenacyl chloride
- Phenyl chloromethyl ketone
- α-Chloroacetophenone
- ω-Chloroacetophenone
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | IMACFCSSMIZSPP-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2 |
| IUPAC name chemrof:IUPAC_name | 2-chloro-1-phenylethanone |
| Molecular formula chemrof:molecular_formula | C8H7ClO |
| Molecular mass chemrof:molecular_mass | 154.596 |
| Monoisotopic mass chemrof:monoisotopic_mass | 154.018543 |
| SMILES string chemrof:smiles_string | O=C(CCl)c1ccccc1 |
Known URLs
16Where 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=532-27-4 | enrich_references.consensus_cas_link |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/AM602160.html | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.007.757 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0128 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9020293 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=41666 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL105712 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/88B5039IQG | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0245061 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.629H | enrich_references.pubchem_identifier_url |
| pharos.nih.gov | https://pharos.nih.gov/ligands/3L54FARDFBLA | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/10757 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#1697 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3416 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q284209 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Phenacyl_chloride | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 0d79ecde-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9d91-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 258cb808-61b2-4074-948e-38e1a3fd26b0 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9d90-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9d92-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9d8f-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-8c9d-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-8ca1-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-9d8e-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-8c9f-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-8ca2-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-8c9e-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| e3bc949113edd462167f55d0f8e7c640cfc8d7c3 | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| 4d9a8790-3ddd-11dd-8ca0-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
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{
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{
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{
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{
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{
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{
"@value": "Phenyl chloromethyl ketone",
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{
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{
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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