2,7-dichlorodibenzo-p-dioxin
fo-6b0a209b2301ef41
Identity
- Type
- Neutral molecule
- CAS
- 33857-26-0
- EC
- —
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
6- 2,7-Dichlorodibenzo[b,e][1,4]dioxin
- 2,7-Dichlorodibenzodioxin
- 2,7-Dichlorodioxin
- Dibenzo-p-dioxin, 2,7-dichloro-
- Dibenzo[b,e][1,4]dioxin, 2,7-dichloro-
- PCDD 11
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | NBFMTHWVRBOVPE-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H6Cl2O2/c13-7-1-3-9-11(5-7)16-10-4-2-8(14)6-12(10)15-9/h1-6H |
| IUPAC name chemrof:IUPAC_name | 2,7-dichlorodibenzo-p-dioxin |
| Molecular formula chemrof:molecular_formula | C12H6Cl2O2 |
| Molecular mass chemrof:molecular_mass | 253.084 |
| Monoisotopic mass chemrof:monoisotopic_mass | 251.974485 |
| SMILES string chemrof:smiles_string | Clc1ccc2c(c1)Oc1ccc(Cl)cc1O2 |
Known URLs
7Where 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=33857-26-0 | enrich_references.consensus_cas_link |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1020435 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3KMT7J3HEQ | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.853H | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/36613 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3077 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q27257427 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 926f1a0f-9ee7-494a-a76d-1e5a269def74 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| 9f303150-2c9d-4a0b-bc9e-7d3c06b61335 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| 5ee05b41-4ed4-4fd6-96a7-77b560bdcd57 | Environmental → Air → Indoor | EF 3.1 | kg | 0 |
| c47bc9ea-7c64-4069-a692-0f12b42c62b1 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 32664050-3dd4-4711-ac70-188dbaba01a9 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| 3eb9c735-f143-4b84-bcf5-0c3dc79a0f76 | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| 85fc42c4-0be8-4dfe-909a-5ac0d6c89cb8 | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| 6e68a7bd-2510-4c30-89bf-0d337feb14a7 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| 0523dee3-a1df-4cb6-ab77-3df53908f647 | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| dd8494ea-0460-4a3f-bb8a-1863510735b2 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 1cea75ab-002a-4201-8b0c-9b4ce8f11596 | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| f2daf47c-b4d7-4ea1-bf4c-53aeb596c092 | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| 21ab48c0-9d9e-426d-a8a2-83e6edca8992 | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
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