1,3-bis(1-isocyanato-1-methylethyl)benzene
fo-648c71bc7e4bd041
Identity
- Type
- Neutral molecule
- CAS
- 2778-42-9
- EC
- 220-474-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
20- 1,3-Bis(1-isocyanatolmethylethyl)benzene
- 1,3-Bis(1-methyl-1-isocyanatoethyl)benzene
- 1,3-Bis(2-isocyanato-prop-2-yl)benzene
- 1,3-Bis(2-isocyanatopropan-2-yl)benzene
- 1,3-Bis(α-isocyanatoisopropyl)benzene
- Benzene, 1,3-bis(1-isocyanato-1-methylethyl)-
- Isocyanic acid, m-phenylenediisopropylidene ester
- Isocyanic acid, α,α,α′,α′-tetramethyl-m-xylylene ester
- m-Bis(1-isocyanato-1-methylethyl)benzene
- m-Tetramethylxylene diisocyanate
- m-TMXDI
- Meta-tetramethylxylylene diisocyanate
- Tetramethyl-1,3-xylylene diisocyanate
- Tetramethyl-m-xylylene diisocyanate
- α,α,α′,α′-Tetramethyl-1,3-xylene diisocyanate
- α,α,α′,α′-Tetramethyl-1,3-xylylen diisocyanate
- α,α,α′,α′-Tetramethyl-1,3-xylylene diisocyanate
- α,α,α′,α′-Tetramethyl-m-phenylenedimethylene diisocyanate
- α,α,α′,α′-Tetramethyl-m-xylene diisocyanate
- α,α,α′,α′-Tetramethyl-m-xylylene diisocyanate
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | AZYRZNIYJDKRHO-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C14H16N2O2/c1-13(2,15-9-17)11-6-5-7-12(8-11)14(3,4)16-10-18/h5-8H,1-4H3 |
| IUPAC name chemrof:IUPAC_name | 1,3-bis(1-isocyanato-1-methylethyl)benzene |
| Molecular formula chemrof:molecular_formula | C14H16N2O2 |
| Molecular mass chemrof:molecular_mass | 244.294 |
| Monoisotopic mass chemrof:monoisotopic_mass | 244.121178 |
| SMILES string chemrof:smiles_string | CC(C)(N=C=O)c1cccc(C(C)(C)N=C=O)c1 |
Known URLs
9Where 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=157299-02-0 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=2778-42-9 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.018.614 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4027498 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183020 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/YMD74QL0TC | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J93.726F | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/17719 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27294591 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 3d8f9d02-eccd-4011-90ab-8f585eb13515 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 8fa9436c-8320-46a4-ad12-486e68a987b7 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 5c31d386-16f7-4504-86c4-e403c3d22ea9 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| e37f4e56-60ca-4f13-8439-5fadc9201c42 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| c26ba62d-099a-48e4-ba77-4eaaaf412786 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 62e8df31-b2c1-4387-9e32-ce0a5b9ebec3 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 7fcc83e7-fc06-4c6f-bc2e-f4873dac0525 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| cbba0ef0-27e4-4bf0-a76d-cde8e5672df6 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| aae66bed-1840-4052-9a45-a1b59d92b8ca | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 63bdb2a3-cf94-410f-b7de-00b1b89d500b | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| bed3af8e-bf0f-4f05-b16a-812a8f20e2b2 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| f9e94abd-4c13-4f5e-b7bb-bac30f016eec | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 74bfb3bb-1090-42db-9d0a-6e94fde9b8e9 | 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