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Basic information
- CAS
1063734-43-9- Standard SMILES
CCOC(=O)c1ccc(S(=O)(=O)Cl)c(F)c1- InChIKey
YWZRABLZZFXQJI-UHFFFAOYSA-N- Molecular formula
- C9H8ClFO4S
- Average molar mass
- 266.67 g/mol
- Monoisotopic mass
- 265.9815858
Names & identifiers
- Preferred name
- Ethyl 4-(chlorosulfonyl)-3-fluorobenzoate
- IUPAC
- ethyl 4-chlorosulfonyl-3-fluorobenzoate
- English name
- Benzoic acid, 4-(chlorosulfonyl)-3-fluoro-, ethyl ester
- Molecular formula
- C9H8ClFO4S
- Molecular weight
- 266.67
Names & synonyms
Ethyl 4-(chlorosulfonyl)-3-fluorobenzoate1063734-43-9RefChem:595253878-084-0ethyl 4-chlorosulfonyl-3-fluorobenzoateSCHEMBL3165834YWZRABLZZFXQJI-UHFFFAOYSA-NNSB73443ethyl 4-chlorosulfonyl-3-fluoro-benzoateEthyl4-(chlorosulfonyl)-3-fluorobenzoateDB-205217EN300-257185
Show more names
Benzoic acid, 4-(chlorosulfonyl)-3-fluoro-, ethyl ester
G509084-chlorosulfonyl-3-fluoro-benzoic acid ethyl ester4-(Chlorosulfonyl)-3-fluorobenzoic acid ethyl ester
Database identifiers
- CAS
1063734-43-9- PubChem CID
- 57732037
- EC Number
- 878-084-0
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-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
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%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Suppliers3 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
6 records
Compound notes
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