Methyl 3-bromo-4-[(chlorosulfonyl)methyl]benzoate
Basic information
- CAS
1061617-77-3- Standard SMILES
COC(=O)c1ccc(CS(=O)(=O)Cl)c(Br)c1- InChIKey
HJVXLONUETUAED-UHFFFAOYSA-N- Molecular formula
- C9H8BrClO4S
- Average molar mass
- 327.58 g/mol
- Monoisotopic mass
- 325.90152
Names & identifiers
- Preferred name
- Methyl 3-bromo-4-[(chlorosulfonyl)methyl]benzoate
- IUPAC
- methyl 3-bromo-4-(chlorosulfonylmethyl)benzoate
Names & synonyms
1061617-77-3Methyl 3-bromo-4-[(chlorosulfonyl)methyl]benzoateMETHYL 3-BROMO-4-((CHLOROSULFONYL)METHYL)BENZOATERefChem:815326862-325-13-bromo-4-(chlorosulfonylmethyl)benzoic acid methyl estermethyl 3-bromo-4-(chlorosulfonylmethyl)benzoate3-Bromo-4-chlorosulfonylmethylbenzoicacidmethylester3-Bromo-4-chlorosulfonylmethylbenzoic acid methyl esterMFCD18447692AT27117SY504168
Show more names
CS-0240043EN300-223443
Database identifiers
- CAS
1061617-77-3- PubChem CID
- 75412271
- EC Number
- 862-325-1
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 351
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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 CategoriesSkin Corr. 1B (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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