Basic information
- CAS
470716-51-9- Standard SMILES
O=S(=O)(Cc1cc(F)ccc1F)c1ccc(Cl)cc1- InChIKey
HHEQSSURHUQFCS-UHFFFAOYSA-N- Molecular formula
- C13H9ClF2O2S
- Average molar mass
- 302.72 g/mol
- Monoisotopic mass
- 301.9979847
Names & identifiers
- Preferred name
- 2-(((4-Chlorophenyl)sulfonyl)methyl)-1,4-difluorobenzene
- IUPAC
- 2-[(4-chlorophenyl)sulfonylmethyl]-1,4-difluorobenzene
- English name
- 2-((4-chlorophenylsulfonyl)methyl)-1,4-difluorobenzene
- Molecular formula
- C13H9ClF2O2S
- Molecular weight
- 302.72
Names & synonyms
470716-51-92-(((4-Chlorophenyl)sulfonyl)methyl)-1,4-difluorobenzene2-((4-CHLOROPHENYLSULFONYL)METHYL)-1,4-DIFLUOROBENZENE2-[(4-Chlorophenyl)sulfonylmethyl]-1,4-difluorobenzeneMFCD118466112-[(4-chlorobenzenesulfonyl)methyl]-1,4-difluorobenzeneCHEMBL1948202-(((4-Chlorophenyl)sulfonyl)-methyl)-1,4-difluorobenzene2-[(4-chlorophenyl)sulfonylmethyl]-1,4-difluoro-benzene2-[[(4-chlorophenyl)sulfonyl]methyl]-1,4-difluorobenzene2-{[(4-chlorophenyl)sulfonyl]methyl}-1,4-difluorobenzeneC13H9ClF2O2S
Show more names
2-[(4-chlorobenzenesulfonyl)Methyl]-1,4- difluorobenzeneBenzene, 2-[[(4-chlorophenyl)sulfonyl]Methyl]-1,4-difluoro-
SCHEMBL1062719DTXSID10432595HHEQSSURHUQFCS-UHFFFAOYSA-NCS-M0981BDBM50166711AKOS015899331AB93234DB-354618
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- Boiling point
- 440 · 440.0±45.0 °C(Predicted)
- Density
- 1.426 · 1.426±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers16 total
上海硅兰医药科技有限公司17301772648; 17301772648 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Young Lively PharminBlock Co.,Ltd18600731423 · [email protected]
武汉艾瑞尔化学科技有限公司18986259541 18986259541 · [email protected]
越林试剂021-62960152 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
Zjartspharm Co., Ltd15068876005 · [email protected]
Related reactions
81 records
Compound notes
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