2-Chloro-5-methyl-3-nitrobenzene-1-sulfonyl chloride
Basic information
- CAS
871876-54-9- Standard SMILES
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Cl)c1- InChIKey
VSCYJOGSJGGTSD-UHFFFAOYSA-N- Molecular formula
- C7H5Cl2NO4S
- Average molar mass
- 270.09 g/mol
- Monoisotopic mass
- 268.9316342
Names & identifiers
- Preferred name
- 2-Chloro-5-methyl-3-nitrobenzene-1-sulfonyl chloride
- IUPAC
- 2-chloro-5-methyl-3-nitrobenzenesulfonyl chloride
Names & synonyms
2-chloro-5-methyl-3-nitrobenzene-1-sulfonyl chloride871876-54-9RefChem:469392977-391-82-chloro-5-methyl-3-nitrobenzenesulfonyl chlorideWJB87654CS-0230989EN300-1064822-chloro-5-methyl-3-nitro-benzenesulfonyl chloride2-chloro-5-methyl-3-nitrobenzene-1-sulfonylchloride
Database identifiers
- CAS
871876-54-9- PubChem CID
- 43455751
- EC Number
- 977-391-8
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 347
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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