1-isocyanato-4-(4-isocyanato-3-methyl-phenyl)-2-methyl-benzene
fo-b81b69a84d1fd304
Identity
- Type
- Neutral molecule
- CAS
- 91-97-4
- EC
- 202-112-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
18- 1,1′-Biphenyl, 4,4′-diisocyanato-3,3′-dimethyl-
- 1-Isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene
- 3,3′-Bitolylene-4,4′-diisocyanate
- 3,3′-Dimethyl-4,4′-biphenylene diisocyanate
- 3,3′-Dimethyl-4,4′-biphenylene isocyanate
- 3,3′-Dimethyl-4,4′-biphenylylene diisocyanate
- 3,3′-Dimethyl-4,4′-diisocyanatobiphenyl
- 3,3′-Dimethyl-4,4′-diphenylene diisocyanate
- 3,3′-Dimethylbiphenyl 4,4′-diisocyanate
- 4,4′-Diisocyanato-3,3-dimethylbiphenyl
- 4,4′-Diisocyanato-3,3′-bitolyl
- 4,4′-Diisocyanato-3,3′-dimethyl-1,1′-biphenyl
- 4,4′-Diisocyanato-3,3′-dimethylbiphenyl
- 4,4′-Diisocyanato-3,3′-dimethyldiphenyl
- Bitolylene diisocyanate
- Isocyanic acid, 3,3′-dimethyl-4,4′-biphenylylene ester
- o-Tolidine diisocyanate
- TODI
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | ICLCCFKUSALICQ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C16H12N2O2/c1-11-7-13(3-5-15(11)17-9-19)14-4-6-16(18-10-20)12(2)8-14/h3-8H,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 1-isocyanato-4-(4-isocyanato-3-methyl-phenyl)-2-methyl-benzene |
| Molecular formula chemrof:molecular_formula | C16H12N2O2 |
| Molecular mass chemrof:molecular_mass | 264.284 |
| Monoisotopic mass chemrof:monoisotopic_mass | 264.089878 |
| SMILES string chemrof:smiles_string | Cc1cc(-c2ccc(N=C=O)c(C)c2)ccc1N=C=O |
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=91-97-4 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.001.921 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7041463 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9599 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9L950NB0HN | enrich_references.pubchem_identifier_url |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2929.10.20.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J41.830G | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7072 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2206 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q27272702 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 7a560199-8be9-4ca3-8caf-34a281ccab30 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 807920c8-e056-4168-8172-da1272740e5a | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 94686380-ef5e-4664-8250-8e86fab4ac73 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| a8165c4e-f14b-454f-9811-10adf8977c77 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| a5f2038d-8658-43eb-8590-6f1dfe995983 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| ba1a4bce-3c35-400d-9ff5-a0b695e96f84 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| f981098c-a918-41e1-8c26-ad834fc69b59 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| cc9d27a3-3cf2-4b73-93d8-ae5213b5effe | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 87e306e9-078f-4cf5-969a-89f732ef10c4 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| bf2fab74-43ef-4ff2-a1a0-41883afc6fdc | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4a4c26c4-c353-49a6-bf1a-0789a0e206cc | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| e5eeafe9-8da4-424f-a903-e3d773429baf | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 7aff86d7-98b5-4df9-9d74-f5b666440e29 | 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