1,1',1''-methanetriyltris(4-isocyanatobenzene)
fo-ebe996a534d552dd
Identity
- Type
- Neutral molecule
- CAS
- 2422-91-5
- EC
- 219-351-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
12- 1,1′,1′′-Methylidynetris[4-isocyanatobenzene]
- 1-[Bis(4-isocyanatophenyl)methyl]-4-isocyanatobenzene
- 4,4′,4′′-Triisocyanatotriphenylmethane
- 4,4′,4′′-Triphenylmethane triisocyanate
- Benzene, 1,1′,1′′-methylidynetris[4-isocyanato-
- Isocyanic acid, methylidynetri-p-phenylene ester
- Methane, tris(p-isocyanatophenyl)-
- Methylidynetri-p-phenylene isocyanate
- Triphenylmethane-4,4′,4′′-triyl triisocyanate
- Tris(4-isocyanatophenyl)methane
- Tris(p-isocyanatophenyl)methane
- TTI
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | LTIKIBFTASQKMM-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C22H13N3O3/c26-13-23-19-7-1-16(2-8-19)22(17-3-9-20(10-4-17)24-14-27)18-5-11-21(12-6-18)25-15-28/h1-12,22H |
| IUPAC name chemrof:IUPAC_name | 1,1',1''-methanetriyltris(4-isocyanatobenzene) |
| Molecular formula chemrof:molecular_formula | C22H13N3O3 |
| Molecular mass chemrof:molecular_mass | 367.364 |
| Monoisotopic mass chemrof:monoisotopic_mass | 367.095691 |
| SMILES string chemrof:smiles_string | O=C=Nc1ccc(C(c2ccc(N=C=O)cc2)c2ccc(N=C=O)cc2)cc1 |
Known URLs
6Where 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=2422-91-5 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.017.593 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7062401 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J202.895F | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/75500 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q72514744 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| cf064805-0297-4885-ae95-16b0630d06a3 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 4eaf683c-ec0b-407f-95c7-cbb16ec4acc5 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 65be6905-46b2-4625-af4e-1dacef609be0 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 6274f82f-ff62-48ff-a89f-2390d94fe336 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 3bae5c75-e885-40fd-a4a5-2fd6995ce8c3 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| f94105c7-7394-40e9-a385-f4936614d22c | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| ef010fe6-b5fe-440d-bca1-e0e2c970d982 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 0acbebe9-2881-4b4d-afaa-c1c44a56ad2b | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| da908f22-6c59-40dc-8582-1a5eed220fc3 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 837d66d1-2763-4ef6-8c6c-d9b5cad66303 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 519d9341-e35c-4865-af6f-6435b69a4fdc | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 47e50237-9719-4886-8d81-3078e25e7f88 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 2ad60264-a0d8-4ef1-98ee-67ded2ac0a84 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
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