1,3-bis(isocyanatomethyl)benzene
fo-d7bfa6660a8bf413
Identity
- Type
- Neutral molecule
- CAS
- 3634-83-1
- EC
- 222-852-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
9- (Benzene-1,3-diyl)dimethyl diisocyanate
- 1,3-Xylene diisocyanate
- 1,3-Xylylene diisocyanate
- Benzene, 1,3-bis(isocyanatomethyl)-
- Isocyanic acid, m-phenylenedimethylene ester
- m-Phenylenedimethylene isocyanate
- m-XDI
- m-Xylylene diisocyanate
- ω,ω′-Diisocyanato-1,3-dimethylbenzene
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | RTTZISZSHSCFRH-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H8N2O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h1-4H,5-6H2 |
| IUPAC name chemrof:IUPAC_name | 1,3-bis(isocyanatomethyl)benzene |
| Molecular formula chemrof:molecular_formula | C10H8N2O2 |
| Molecular mass chemrof:molecular_mass | 188.186 |
| Monoisotopic mass chemrof:monoisotopic_mass | 188.058577 |
| SMILES string chemrof:smiles_string | O=C=NCc1cccc(CN=C=O)c1 |
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=3634-83-1 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.020.776 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5038919 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/D85XJ1813J | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J54.460D | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/19262 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27276232 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| e709a0a2-70bd-496a-861f-4539cbf75c07 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| fda0f028-bc9c-4168-a985-6ae0a461bc27 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 7a639993-55a6-444c-8c8c-4a20c4507044 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 8afc22bf-ea3a-4ebf-8f85-68bcad5552ae | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| adb51828-f63f-4ce8-8abd-74cae4d78623 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| cb8e2c01-7b5d-4e1d-9913-692f06224b99 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 5be0c69e-6e84-4ed3-9655-f36ecc4608b1 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| c86b03ec-c2e3-4131-ae1e-a03f32360e90 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| a570b9d4-b312-4e37-8445-76e31812cf2a | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 45551cd5-57ab-48ab-b017-c7ac7a543acc | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| b1303105-f995-43e4-b116-43b7e7987c18 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 2549a9fa-e948-4666-b9fc-f05defefbfb6 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| e80c4ba4-12e3-42b0-ad03-5cdcd9347786 | 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