Trichloro(isobutyl)silane
fo-e6b64bf75a0be05b
Identity
- Type
- Neutral molecule
- CAS
- 18169-57-8
- EC
- 242-053-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
6- (2-Methylpropyl)trichlorosilane
- Isobutyltrichlorosilane
- Silane, trichloro(2-methylpropyl)-
- Silane, trichloroisobutyl-
- Trichloro(2-methylpropyl)silane
- Trichloroisobutylsilane
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | GBXOGFTVYQSOID-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C4H9Cl3Si/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | Trichloro(isobutyl)silane |
| Molecular formula chemrof:molecular_formula | C4H9Cl3Si |
| Molecular mass chemrof:molecular_mass | 191.561 |
| Monoisotopic mass chemrof:monoisotopic_mass | 189.95391 |
| SMILES string chemrof:smiles_string | CC(C)C[Si](Cl)(Cl)Cl |
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=18169-57-8 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.038.216 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0066329 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/W3G9S6YL5A | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J260.907J | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/87489 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q72510276 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 362a16a9-5032-4eec-9c7d-ad4ce21ab1e6 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 89abe92f-b2ad-4150-b7e3-cb6f707cdef4 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 76e8594e-0b14-47f6-a3c9-e86d017ab3d7 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 52fa6020-bef3-4777-91f1-195dc419a6d0 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| fb594d21-71da-45f6-b7f3-e610865bf3db | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 64a7fa79-0893-4170-8529-e5d388569c77 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| aeef2b01-f677-4085-8be2-ef9557d36777 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 6d88da03-d7e2-4d06-b939-61eefef74a4c | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| e806a763-3956-49d6-87ac-9cef04bffdff | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 0d94e847-7d06-47c8-bf12-40c7a089c448 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 22635bd2-fbc8-4a9b-a19f-14c0f8da53ee | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 386e2a8e-0426-46b9-92f8-2de35369c2ae | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| c8f0d5dc-dcea-4a6f-949e-216fdbcfd6b7 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-e6b64bf75a0be05b",
"prefLabel": [
{
"@value": "Trichloro(isobutyl)silane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "(2-Methylpropyl)trichlorosilane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:18169-57-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=18169-57-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Isobutyltrichlorosilane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:18169-57-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=18169-57-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Silane, trichloro(2-methylpropyl)-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:18169-57-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=18169-57-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Silane, trichloroisobutyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:18169-57-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=18169-57-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Trichloro(2-methylpropyl)silane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:18169-57-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=18169-57-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Trichloroisobutylsilane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:18169-57-8",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=18169-57-8"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C4H9Cl3Si"
],
"attested_by": {
"C4H9Cl3Si": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:87489"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)C[Si](Cl)(Cl)Cl"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"GBXOGFTVYQSOID-UHFFFAOYSA-N"
],
"attested_by": {
"GBXOGFTVYQSOID-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:87489"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)C[Si](Cl)(Cl)Cl"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CC(C)C[Si](Cl)(Cl)Cl"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Trichloro(isobutyl)silane"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)C[Si](Cl)(Cl)Cl"
]
}
],
"attested_by": {
"CC(C)C[Si](Cl)(Cl)Cl": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C4H9Cl3Si/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Trichloro(isobutyl)silane"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)C[Si](Cl)(Cl)Cl"
]
}
],
"attested_by": {
"InChI=1S/C4H9Cl3Si/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Trichloro(isobutyl)silane"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Trichloro(isobutyl)silane"
]
},
"attested_by": {
"Trichloro(isobutyl)silane": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
191.561
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)C[Si](Cl)(Cl)Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)C[Si](Cl)(Cl)Cl"
]
}
],
"attested_by": {
"191.561": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
189.95391
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)C[Si](Cl)(Cl)Cl"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)C[Si](Cl)(Cl)Cl"
]
}
],
"attested_by": {
"189.95391": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J260.907J",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:87489;CAS:18169-57-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[18169-57-8]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.038.216",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:87489;CAS:18169-57-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[18169-57-8]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=18169-57-8",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"18169-57-8"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID0066329",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:87489;CAS:18169-57-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[18169-57-8]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/W3G9S6YL5A",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:87489;CAS:18169-57-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[18169-57-8]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/87489",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:87489;CAS:18169-57-8"
],
"prov:wasDerivedFrom": "pubchem.by_cas[18169-57-8]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q72510276",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:87489;CAS:18169-57-8"
],
"prov:wasDerivedFrom": "pubchem.identifiers[18169-57-8]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "0d94e847-7d06-47c8-bf12-40c7a089c448",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"18169-57-8"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=18169-57-8"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=18169-57-8"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"242-053-4"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=242-053-4"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}
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