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4-methylbenzenesulfonyl Chloride

UUID 80bff058-fc8e-4753-af8f-134caf2abac0
Flow Object IDfo-d6e057860e4c7771
Source EF 3.1
Context Environmental → Air → Ground level → Urban (>1000 people/square mile)
CAS Numbers 98-59-9
EC Numbers 202-684-8
prefLabel
Language Value Provenance
en 4-methylbenzenesulfonyl Chloride
altLabel ⓘ
Language Value Provenance
en 4-Methylbenzene-1-sulfonyl chloride
en 4-Methylbenzenesulphonyl chloride
en 4-Methylphenylsulfonyl chloride
en 4-Toluenesulfonyl chloride
en 4-Toluolsulfonyl chloride
en 4-Tosyl chloride
en <em>p</em>-Methylbenzenesulfonyl chloride
en <em>p</em>-Methylphenylsulfonyl chloride
en <em>p</em>-Toluenesulfochloride
en <em>p</em>-Toluenesulfonic acid chloride
en <em>p</em>-Toluenesulfonic chloride
en <em>p</em>-Toluenesulfonyl chloride
en <em>p</em>-Tolylsulfonyl chloride
en <em>p</em>-Tosyl chloride
en Benzenesulfonyl chloride, 4-methyl-
en NSC 175822
en Toluenesulfonyl chloride
en TosCl
en Tosyl chloride
References
Shared Properties
Predicate Value
InChIKey JUMYIBMBTDDLNG-UHFFFAOYSA-N, LOHSJZLQNKMZMK-QWHCGFSZSA-N, YYROPELSRYBVMQ-UHFFFAOYSA-N
InChI InChI=1S/C14H19NO2.ClH/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12;/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3;1H, InChI=1S/C16H25N5O4/c1-25-15(24)13(3-2-8-20-16(18)19)21-14(23)12(17)9-10-4-6-11(22)7-5-10/h4-7,12-13,22H,2-3,8-9,17H2,1H3,(H,21,23)(H4,18,19,20)/t12-,13+/m0/s1, InChI=1S/C7H7ClO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3
IUPAC name (2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)pentanoic acid methyl ester, (2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-valeric acid methyl ester, 2-phenyl-2-(2-piperidinyl)acetic acid methyl ester;hydrochloride, 2-phenyl-2-(2-piperidyl)acetic acid methyl ester;hydrochloride, 4-methylbenzenesulfonyl chloride, methyl (2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoate, methyl (2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-pentanoate, methyl (2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoate, methyl 2-phenyl-2-(2-piperidyl)acetate;hydrochloride, methyl 2-phenyl-2-piperidin-2-yl-ethanoate;hydrochloride, methyl 2-phenyl-2-piperidin-2-ylacetate;hydrochloride
Molecular formula C14H20ClNO2, C16H25N5O4, C7H7ClO2S
SMILES CC1=CC=C(C=C1)S(=O)(=O)Cl, COC(=O)C(C1CCCCN1)C2=CC=CC=C2.Cl, COC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=C(C=C1)O)N, COC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)N

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 80bff058-fc8e-4753-af8f-134caf2abac0 4-methylbenzenesulfonyl chloride

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 4-methylbenzenesulfonyl chloride Emissions/Emissions to air/Emissions to urban air close to ground 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=4-methylbenzenesulfonylchloride||dimension=Environmental > media=Ground > geography=Unknown; cas=98-59-9; added Common Chemistry CAS names as altLabel: 4-Methylbenzene-1-sulfonyl chloride, 4-Methylbenzenesulphonyl chloride, 4-Methylphenylsulfonyl chloride, 4-Toluenesulfonyl chloride, 4-Toluolsulfonyl chloride, 4-Tosyl chloride, <em>p</em>-Methylbenzenesulfonyl chloride, <em>p</em>-Methylphenylsulfonyl chloride, <em>p</em>-Toluenesulfochloride, <em>p</em>-Toluenesulfonic acid chloride, <em>p</em>-Toluenesulfonic chloride, <em>p</em>-Toluenesulfonyl chloride, <em>p</em>-Tolylsulfonyl chloride, <em>p</em>-Tosyl chloride, Benzenesulfonyl chloride, 4-methyl-, NSC 175822, Toluenesulfonyl chloride, TosCl, Tosyl chloride; object_uuid=fo-d6e057860e4c7771
cas_match_labels 1 — consensus_match group_key=4-methylbenzenesulfonylchloride||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'98-59-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d6e057860e4c7771: {'98-59-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityUrban (>1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '4-Methylbenzene-1-sulfonyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-59-9', 'https://commonchemistry.cas.org/detail?cas_rn=98-59-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Methylbenzenesulphonyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-59-9', 'https://commonchemistry.cas.org/detail?cas_rn=98-59-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Methylphenylsulfonyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-59-9', 'https://commonchemistry.cas.org/detail?cas_rn=98-59-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Toluenesulfonyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-59-9', 'https://commonchemistry.cas.org/detail?cas_rn=98-59-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Toluolsulfonyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-59-9', 'https://commonchemistry.cas.org/detail?cas_rn=98-59-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Tosyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-59-9', 'https://commonchemistry.cas.org/detail?cas_rn=98-59-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Methylbenzenesulfonyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-59-9', 'https://commonchemistry.cas.org/detail?cas_rn=98-59-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Methylphenylsulfonyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-59-9', 'https://commonchemistry.cas.org/detail?cas_rn=98-59-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Toluenesulfochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-59-9', 'https://commonchemistry.cas.org/detail?cas_rn=98-59-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Toluenesulfonic acid chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-59-9', 'https://commonchemistry.cas.org/detail?cas_rn=98-59-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Toluenesulfonic chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-59-9', 'https://commonchemistry.cas.org/detail?cas_rn=98-59-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Toluenesulfonyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-59-9', 'https://commonchemistry.cas.org/detail?cas_rn=98-59-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Tolylsulfonyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-59-9', 'https://commonchemistry.cas.org/detail?cas_rn=98-59-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Tosyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-59-9', 'https://commonchemistry.cas.org/detail?cas_rn=98-59-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenesulfonyl chloride, 4-methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-59-9', 'https://commonchemistry.cas.org/detail?cas_rn=98-59-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 175822', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-59-9', 'https://commonchemistry.cas.org/detail?cas_rn=98-59-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Toluenesulfonyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-59-9', 'https://commonchemistry.cas.org/detail?cas_rn=98-59-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'TosCl', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-59-9', 'https://commonchemistry.cas.org/detail?cas_rn=98-59-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tosyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:98-59-9', 'https://commonchemistry.cas.org/detail?cas_rn=98-59-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=4-methylbenzenesulfonylchloride||dimension=Environmental > media=Ground > geography=Unknown; cas=98-59-9; added Common Chemistry CAS names as altLabel: 4-Methylbenzene-1-sulfonyl chloride, 4-Methylbenzenesulphonyl chloride, 4-Methylphenylsulfonyl chloride, 4-Toluenesulfonyl chloride, 4-Toluolsulfonyl chloride, 4-Tosyl chloride, <em>p</em>-Methylbenzenesulfonyl chloride, <em>p</em>-Methylphenylsulfonyl chloride, <em>p</em>-Toluenesulfochloride, <em>p</em>-Toluenesulfonic acid chloride, <em>p</em>-Toluenesulfonic chloride, <em>p</em>-Toluenesulfonyl chloride, <em>p</em>-Tolylsulfonyl chloride, <em>p</em>-Tosyl chloride, Benzenesulfonyl chloride, 4-methyl-, NSC 175822, Toluenesulfonyl chloride, TosCl, Tosyl chloride; object_uuid=fo-d6e057860e4c7771
cas_match_labels None {'98-59-9': 'exactMatch'} group_key=4-methylbenzenesulfonylchloride||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'98-59-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d6e057860e4c7771: {'98-59-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "unit": "kg",
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