3,5-dinitrotoluene

← Back to consensus flows

UUID 25c21b73-0e9e-487c-8d65-d8e94d1f8df4

Flow Object ID fo-3c26a0f4f5b26c44

Source EF 3.1

Context Environmental → Air → Unknown

CAS Numbers 618-85-9

EC Numbers 210-566-2

prefLabel

Language	Value	Provenance
`en`	`3,5-dinitrotoluene`

altLabel ⓘ

Language	Value	Provenance
`en`	`1-Methyl-3,5-dinitrobenzene`
`en`	`3,5-DNT`
`en`	`5-Methyl-1,3-dinitrobenzene`
`en`	`Benzene, 1-methyl-3,5-dinitro-`
`en`	`NSC 87348`
`en`	`Toluene, 3,5-dinitro-`

References

Shared Properties

Predicate	Value
Formal charge	`0`
InChIKey	`RUIFULUFLANOCI-UHFFFAOYSA-N`
InChI	`InChI=1S/C7H6N2O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3`
IUPAC name	`1-methyl-3,5-dinitro-benzene, 1-methyl-3,5-dinitrobenzene`
Molecular formula	`C7H6N2O4`
Molecular mass	`182.135`
Monoisotopic mass	`182.03276`
SMILES	`CC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-], Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`25c21b73-0e9e-487c-8d65-d8e94d1f8df4`	3,5-dinitrotoluene

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	3,5-dinitrotoluene	Emissions/Emissions to air/Emissions to air, unspecified	kg	`exactMatch`	—

Consolidated Field Provenance

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

Field	Change Count	Latest Time	Transformers	Latest Comment
`altLabel`	1	`—`	consensus_match	group_key=3,5-dinitrotoluene\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=618-85-9; added Common Chemistry CAS names as altLabel: 1-Methyl-3,5-dinitrobenzene, 3,5-DNT, 5-Methyl-1,3-dinitrobenzene, Benzene, 1-methyl-3,5-dinitro-, NSC 87348, Toluene, 3,5-dinitro-; object_uuid=fo-3c26a0f4f5b26c44
`cas_match_labels`	1	`—`	consensus_match	group_key=3,5-dinitrotoluene\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'618-85-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3c26a0f4f5b26c44: {'618-85-9': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '1-Methyl-3,5-dinitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:618-85-9', 'https://commonchemistry.cas.org/detail?cas_rn=618-85-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,5-DNT', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:618-85-9', 'https://commonchemistry.cas.org/detail?cas_rn=618-85-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5-Methyl-1,3-dinitrobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:618-85-9', 'https://commonchemistry.cas.org/detail?cas_rn=618-85-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzene, 1-methyl-3,5-dinitro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:618-85-9', 'https://commonchemistry.cas.org/detail?cas_rn=618-85-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 87348', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:618-85-9', 'https://commonchemistry.cas.org/detail?cas_rn=618-85-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Toluene, 3,5-dinitro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:618-85-9', 'https://commonchemistry.cas.org/detail?cas_rn=618-85-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=3,5-dinitrotoluene\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=618-85-9; added Common Chemistry CAS names as altLabel: 1-Methyl-3,5-dinitrobenzene, 3,5-DNT, 5-Methyl-1,3-dinitrobenzene, Benzene, 1-methyl-3,5-dinitro-, NSC 87348, Toluene, 3,5-dinitro-; object_uuid=fo-3c26a0f4f5b26c44
`cas_match_labels`	`None`	`{'618-85-9': 'exactMatch'}`	group_key=3,5-dinitrotoluene\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'618-85-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3c26a0f4f5b26c44: {'618-85-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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