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1,3,5-Trinitrobenzene

UUID fe0acd60-3ddc-11dd-b10f-0050c2490048
Deprecated yes
Replaced By 08a91e70-3ddc-11dd-9d17-0050c2490048
Flow Object IDfo-faca84118175d357
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 99-35-4
EC Numbers 202-752-7
prefLabel ⓘ
Language Value Provenance
en 1,3,5-Trinitrobenzene
altLabel ⓘ
Language Value Provenance
en 1,3,5-Trinitrobenzol
en TNB
en s-trinitrobenzene
en sym-trinitrobenzene
en 2,4,6-Trinitrobenzene
en <em>s</em>-Trinitrobenzene
en <em>sym</em>-Trinitrobenzene
en Benzene, 1,3,5-trinitro-
en NSC 36931
en TNB (nitro compound)
en Trinitrobenzene
Definitions
Language Value Provenance
en A trinitrobenzene in which each of the nitro groups is meta- to the other two.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey UATJOMSPNYCXIX-UHFFFAOYSA-N
InChI InChI=1S/C6H3N3O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H
IUPAC name 1,3,5-trinitrobenzene
Molecular formula C6H3N3O6
Molecular mass 213.105
Monoisotopic mass 213.00218
SMILES C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-], O=[N+]([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 fe0acd60-3ddc-11dd-b10f-0050c2490048 trinitrobenzene

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 — consensus_match group_key=trinitrobenzene||dimension=Environmental > media=Water > water_body=Unknown; cas=99-35-4; added Common Chemistry CAS names as altLabel: 2,4,6-Trinitrobenzene, <em>s</em>-Trinitrobenzene, <em>sym</em>-Trinitrobenzene, Benzene, 1,3,5-trinitro-, NSC 36931, TNB (nitro compound), Trinitrobenzene; object_uuid=fo-faca84118175d357
cas_match_labels 1 — consensus_match group_key=trinitrobenzene||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'99-35-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-faca84118175d357: {'99-35-4': 'exactMatch'}
prefLabel 1 — consensus_match cas=99-35-4; cc_chebi_agreed_name='1,3,5-Trinitrobenzene'; object_uuid=fo-faca84118175d357

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': 'Trinitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': '1,3,5-Trinitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-35-4'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=99-35-4; cc_chebi_agreed_name='1,3,5-Trinitrobenzene'; object_uuid=fo-faca84118175d357
altLabel [{'@value': '1,3,5-Trinitrobenzol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,3,5-Trinitrobenzol', 'http://purl.obolibrary.org/obo/CHEBI_48113', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,3,5-trinitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,3,5-trinitrobenzene', 'http://purl.obolibrary.org/obo/CHEBI_48113', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'TNB', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:TNB', 'http://purl.obolibrary.org/obo/CHEBI_48113', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 's-trinitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:s-trinitrobenzene', 'http://purl.obolibrary.org/obo/CHEBI_48113', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'sym-trinitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:sym-trinitrobenzene', 'http://purl.obolibrary.org/obo/CHEBI_48113', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '1,3,5-Trinitrobenzol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,3,5-Trinitrobenzol', 'http://purl.obolibrary.org/obo/CHEBI_48113', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'TNB', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:TNB', 'http://purl.obolibrary.org/obo/CHEBI_48113', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 's-trinitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:s-trinitrobenzene', 'http://purl.obolibrary.org/obo/CHEBI_48113', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'sym-trinitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:sym-trinitrobenzene', 'http://purl.obolibrary.org/obo/CHEBI_48113', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Trinitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] cas=99-35-4; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-faca84118175d357
altLabel [{'@value': '1,3,5-Trinitrobenzol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,3,5-Trinitrobenzol', 'http://purl.obolibrary.org/obo/CHEBI_48113', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'TNB', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:TNB', 'http://purl.obolibrary.org/obo/CHEBI_48113', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 's-trinitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:s-trinitrobenzene', 'http://purl.obolibrary.org/obo/CHEBI_48113', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'sym-trinitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:sym-trinitrobenzene', 'http://purl.obolibrary.org/obo/CHEBI_48113', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Trinitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] [{'@value': '1,3,5-Trinitrobenzol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,3,5-Trinitrobenzol', 'http://purl.obolibrary.org/obo/CHEBI_48113', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'TNB', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:TNB', 'http://purl.obolibrary.org/obo/CHEBI_48113', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 's-trinitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:s-trinitrobenzene', 'http://purl.obolibrary.org/obo/CHEBI_48113', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'sym-trinitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:sym-trinitrobenzene', 'http://purl.obolibrary.org/obo/CHEBI_48113', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2,4,6-Trinitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-35-4', 'https://commonchemistry.cas.org/detail?cas_rn=99-35-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>s</em>-Trinitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-35-4', 'https://commonchemistry.cas.org/detail?cas_rn=99-35-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>sym</em>-Trinitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-35-4', 'https://commonchemistry.cas.org/detail?cas_rn=99-35-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzene, 1,3,5-trinitro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-35-4', 'https://commonchemistry.cas.org/detail?cas_rn=99-35-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 36931', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-35-4', 'https://commonchemistry.cas.org/detail?cas_rn=99-35-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'TNB (nitro compound)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-35-4', 'https://commonchemistry.cas.org/detail?cas_rn=99-35-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Trinitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:99-35-4', 'https://commonchemistry.cas.org/detail?cas_rn=99-35-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=trinitrobenzene||dimension=Environmental > media=Water > water_body=Unknown; cas=99-35-4; added Common Chemistry CAS names as altLabel: 2,4,6-Trinitrobenzene, <em>s</em>-Trinitrobenzene, <em>sym</em>-Trinitrobenzene, Benzene, 1,3,5-trinitro-, NSC 36931, TNB (nitro compound), Trinitrobenzene; object_uuid=fo-faca84118175d357
cas_match_labels None {'99-35-4': 'exactMatch'} group_key=trinitrobenzene||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'99-35-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-faca84118175d357: {'99-35-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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