Basic information
- CAS
5455-14-1- Standard SMILES
O=S(=O)(Oc1ccccc1)c1ccc(Br)cc1- InChIKey
ARYXAYIIDXKEDB-UHFFFAOYSA-N- Molecular formula
- C12H9BrO3S
- Average molar mass
- 313.17 g/mol
- Monoisotopic mass
- 311.94558
Names & identifiers
- Preferred name
- Phenyl 4-bromobenzenesulfonate
- IUPAC
- phenyl 4-bromobenzenesulfonate
- English name
- Phenyl 4-bromobenzenesulphonate 98%
- Molecular formula
- C12H9BrO3S
- Molecular weight
- 313.17
Names & synonyms
Phenyl 4-bromobenzenesulfonate5455-14-1phenyl 4-bromobenzene-1-sulfonatePhenyl 4-bromobenzenesulphonatePhenyl4-bromobenzenesulfonatep-Bromo-benezenesulfonic acid, phenyl esterSCHEMBL2886403Phenyl 4-bromobenzenesulfonate #DTXSID40281871ARYXAYIIDXKEDB-UHFFFAOYSA-NNSC23317MFCD09475912
Show more names
Phenyl4-bromobenzenesulphonate98%Phenyl 4-bromobenzenesulphonate 98%4-bromobenzenesulfonic acid phenyl esterPhenyl 4-bromobenzenesulphonate USP/EP/BPPhenyl 4-bromobenzenesulphonate 98% USP/EP/BP
NSC-23317AKOS008677699BS-23828CS-0270197Benzenesulfonic acid, 4-bromo-, phenyl esterF213277Z45514426F3386-4724
Database identifiers
- CAS
5455-14-1- PubChem CID
- 229552
- DTXSID
DTXSID40281871- Nikkaji
- J1.517.302E
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Melting point
- 115.5 °C · 115.5 °C
- Boiling point
- 415.5 · 415.5±37.0 °C(Predicted)
- Density
- 1.571 · 1.571±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Hazard Codes
- Xi
- HS Code
- 2904990090 · 2904990090
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
- hs_code
- 2904990090
- hazard_code
- Xi
Chemistry & industry
Suppliers14 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
菏泽书颖生物科技有限公司18553078733 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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