Basic information
- CAS
6359-90-6- Standard SMILES
CC1=NN(c2cc(S(=O)(=O)O)ccc2Cl)C(=O)C1N=Nc1ccccc1- InChIKey
QDTMJKXRTWLGGY-UHFFFAOYSA-N- Molecular formula
- C16H13ClN4O4S
- Average molar mass
- 392.8 g/mol
- Monoisotopic mass
- 392.0346038
Overview
See also: C.I. Acid Yellow 34 (annotation moved to) ... View More ...
Names & identifiers
- Preferred name
- Acid yellow 34
- IUPAC
- 4-chloro-3-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonic acid
Names & synonyms
Acid yellow 34Fast Light Yellow D3GA6359-90-6C.I. 18890NSC326207CHEMBL3306658DTXSID6047999NS00124629C.I. Acid Yellow 34, (*Monosodium salt*)4-chloro-3-[3-methyl-5-oxo-4-[(E)-phenylazo]-4H-pyrazol-1-yl]benzenesulfonic acid4-Chloro-3-[3-methyl-5-oxo-4-(phenyldiazenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonic acid4-Chloro-3-{3-methyl-5-oxo-4-[(E)-phenyldiazenyl]-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonic acid
Show more names
Benzenesulfonic acid, 4-chloro-3-[4,5-dihydro-3-methyl-5-oxo-4-[(E)-phenylazo]-1H-pyrazol-1-yl]-
Database identifiers
- CAS
6359-90-6、70693-51-5- PubChem CID
- 22841
- DTXSID
DTXSID6047999- ChEMBL
CHEMBL3306658- EC Number
- 228-813-8
- Nikkaji
- J283.152J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 700
Experimental & physicochemical properties
Collision Cross Section196.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0041646]
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (15 of 15) of all reports.
Not Classified
Aggregated GHS information provided per 15 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 4-chloro-3-[4,5-dihydro-3-methyl-5-oxo-4-(2-phenyldiazenyl)-1H-pyrazol-1-yl]-, sodium salt (1:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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