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Dimethyl nitroterephthalate

UUID 9adec75f-586d-4a48-92e7-d8b7df03b861
Deprecated yes
Replaced By fcbec8b7-1e9c-41f5-a294-cdfd6d2ba528
Flow Object IDfo-ae409df20475b379
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 5292-45-5
EC Numbers 226-134-1
prefLabel
Language Value Provenance
en Dimethyl nitroterephthalate
altLabel
Language Value Provenance
en 1,4-Benzenedicarboxylic acid, 2-nitro-, 1,4-dimethyl ester
en 1,4-Benzenedicarboxylic acid, 2-nitro-, dimethyl ester
en 1,4-Dimethyl 2-nitrobenzene-1,4-dicarboxylate
en 1-Nitrobenzene-2,5-dicarboxylic acid dimethyl ester
en Dimethyl 2-nitro-1,4-benzenedicarboxylate
en Dimethyl <em>o</em>-nitroterephthalate
en NSC 5056
en Terephthalic acid, nitro-, dimethyl ester
en Dimethyl 2-nitroterephthalate
References
Shared Properties
Predicate Value
InChIKey PAYWCKGMOYQZAW-UHFFFAOYSA-N
InChI InChI=1S/C10H9NO6/c1-16-9(12)6-3-4-7(10(13)17-2)8(5-6)11(14)15/h3-5H,1-2H3
IUPAC name 2-nitrobenzene-1,4-dicarboxylic acid dimethyl ester, dimethyl 2-nitrobenzene-1,4-dicarboxylate
Molecular formula C10H9NO6
Molecular mass 239.183
Monoisotopic mass 239.042987
SMILES COC(=O)C1=CC(=C(C=C1)C(=O)OC)[N+](=O)[O-], COC(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 9adec75f-586d-4a48-92e7-d8b7df03b861 dimethyl 2-nitroterephthalate

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=dimethyl2-nitroterephthalate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=5292-45-5; added Common Chemistry CAS names as altLabel: 1,4-Benzenedicarboxylic acid, 2-nitro-, 1,4-dimethyl ester, 1,4-Benzenedicarboxylic acid, 2-nitro-, dimethyl ester, 1,4-Dimethyl 2-nitrobenzene-1,4-dicarboxylate, 1-Nitrobenzene-2,5-dicarboxylic acid dimethyl ester, Dimethyl 2-nitro-1,4-benzenedicarboxylate, Dimethyl <em>o</em>-nitroterephthalate, Dimethyl nitroterephthalate, NSC 5056, Terephthalic acid, nitro-, dimethyl ester; object_uuid=fo-ae409df20475b379
cas_match_labels 1 consensus_match group_key=dimethyl2-nitroterephthalate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'5292-45-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ae409df20475b379: {'5292-45-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,4-Benzenedicarboxylic acid, 2-nitro-, 1,4-dimethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5292-45-5', 'https://commonchemistry.cas.org/detail?cas_rn=5292-45-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,4-Benzenedicarboxylic acid, 2-nitro-, dimethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5292-45-5', 'https://commonchemistry.cas.org/detail?cas_rn=5292-45-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,4-Dimethyl 2-nitrobenzene-1,4-dicarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5292-45-5', 'https://commonchemistry.cas.org/detail?cas_rn=5292-45-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Nitrobenzene-2,5-dicarboxylic acid dimethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5292-45-5', 'https://commonchemistry.cas.org/detail?cas_rn=5292-45-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dimethyl 2-nitro-1,4-benzenedicarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5292-45-5', 'https://commonchemistry.cas.org/detail?cas_rn=5292-45-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dimethyl <em>o</em>-nitroterephthalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5292-45-5', 'https://commonchemistry.cas.org/detail?cas_rn=5292-45-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dimethyl nitroterephthalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5292-45-5', 'https://commonchemistry.cas.org/detail?cas_rn=5292-45-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 5056', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5292-45-5', 'https://commonchemistry.cas.org/detail?cas_rn=5292-45-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Terephthalic acid, nitro-, dimethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:5292-45-5', 'https://commonchemistry.cas.org/detail?cas_rn=5292-45-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=dimethyl2-nitroterephthalate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=5292-45-5; added Common Chemistry CAS names as altLabel: 1,4-Benzenedicarboxylic acid, 2-nitro-, 1,4-dimethyl ester, 1,4-Benzenedicarboxylic acid, 2-nitro-, dimethyl ester, 1,4-Dimethyl 2-nitrobenzene-1,4-dicarboxylate, 1-Nitrobenzene-2,5-dicarboxylic acid dimethyl ester, Dimethyl 2-nitro-1,4-benzenedicarboxylate, Dimethyl <em>o</em>-nitroterephthalate, Dimethyl nitroterephthalate, NSC 5056, Terephthalic acid, nitro-, dimethyl ester; object_uuid=fo-ae409df20475b379
cas_match_labels None {'5292-45-5': 'exactMatch'} group_key=dimethyl2-nitroterephthalate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'5292-45-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ae409df20475b379: {'5292-45-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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    "media": "Water",
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