4-Chloro-3,5-dinitrobenzenesulphonic acid
Basic information
- CAS
88-91-5- Standard SMILES
O=[N+]([O-])c1cc(S(=O)(=O)O)cc([N+](=O)[O-])c1Cl- InChIKey
ALVPDCHBQRCKRQ-UHFFFAOYSA-N- Molecular formula
- C6H3ClN2O7S
- Average molar mass
- 282.62 g/mol
- Monoisotopic mass
- 281.9349493
Names & identifiers
- Preferred name
- 4-Chloro-3,5-dinitrobenzenesulphonic acid
- IUPAC
- 4-chloro-3,5-dinitrobenzenesulfonic acid
- English name
- 4-Chloro-3,5-dinitrobenzenesulfonic acid
- Molecular formula
- C6H3ClN2O7S
- Molecular weight
- 282.62
Names & synonyms
4-Chloro-3,5-dinitrobenzenesulfonic acid4-Chloro-3,5-dinitrobenzenesulphonic acidNSC 148EINECS 201-868-5DTXSID90236750RefChem:98412DTXCID20159241Benzenesulfonic acid, 4-chloro-3,5-dinitro-(8CI)Benzenesulfonic acid, 4-chloro-3,5-dinitro-(8CI)(9CI)201-868-588-91-5Benzenesulfonic acid, 4-chloro-3,5-dinitro-
Show more names
3,5-Dinitro-4-chlorobenzenesulfonic acid
Benzenesulfonic acid,4-chloro-3,5-dinitro-AK9LU4C389NSC-148NSC1484-chloro-3,5-dinitrobenzene-1-sulfonic acidUNII-AK9LU4C389SCHEMBL5369611ALVPDCHBQRCKRQ-UHFFFAOYSA-N
Database identifiers
- CAS
88-91-5- PubChem CID
- 66627
- DTXSID
DTXSID90236750- UNII
- AK9LU4C389
- EC Number
- 201-868-5
- Nikkaji
- J1.799.138H、J168.491D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- FDA UNII
- 9 LU4C389 · AK9LU4C389
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
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Compound notes
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