Basic information
- CAS
6973-13-3- Standard SMILES
Cc1cc([N+](=O)[O-])c(S(=O)(=O)O)cc1Cl- InChIKey
JTZLIGVBEAGAFZ-UHFFFAOYSA-N- Molecular formula
- C7H6ClNO5S
- Average molar mass
- 251.64 g/mol
- Monoisotopic mass
- 250.96552097
Names & identifiers
- Preferred name
- 2-Chloro-5-nitrotoluene-4-sulfonic acid
- IUPAC
- 5-chloro-4-methyl-2-nitrobenzenesulfonic acid
- English name
- 2-chloro-5-nitrotoluene-4-sulphonic acid
- Molecular formula
- C7H6ClNO5S
- Molecular weight
- 251.64424
Names & synonyms
6973-13-35-chloro-4-methyl-2-nitrobenzenesulfonic acidBenzenesulfonic acid, 5-chloro-4-methyl-2-nitro-2-Chloro-5-nitrotoluene-4-sulfonic acid2-Chloro-5-nitrotoluene-4-sulphonic acidX9S6T5RD7D2-Chloro-5-nitro-1-toluene-4-sulfonic acidEINECS 230-216-2NSC 36951NSC-36951DTXSID60645312-CHLORO-5-NITRO-1-TOLUENE-4-SULPHONIC ACID
Show more names
3-Chloro-4-methyl-6-nitrobenzenesulfonic acid
5-CHLORO-4-METHYL-2-NITROBENZENESULPHONIC ACIDBENZENESULPHONIC ACID, 5-CHLORO-4-METHYL-2-NITRO-RefChem:469442DTXCID6046557230-216-2NSC369516-Chloro-3-nitrotoluene-4-sulfonic acidUNII-X9S6T5RD7D
Database identifiers
- CAS
6973-13-3- PubChem CID
- 81452
- DTXSID
DTXSID6064531- UNII
- X9S6T5RD7D
- EC Number
- 230-216-2
- Nikkaji
- J30.536G
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- FDA UNII
- 9 S6T5RD7D · X9S6T5RD7D
- EPA Substance Registry System
- 5 · Benzenesulfonic acid, 5-chloro-4-methyl-2-nitro- (6973-13-3)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 5-chloro-4-methyl-2-nitro-: INACTIVE
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
淄博诚桥医化技术有限公司0533-2196219; 13864320634 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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