Basic information
- CAS
50413-24-6- Standard SMILES
CS(=O)(=O)c1ccc(C(=O)CBr)cc1- InChIKey
JOCMYOUZIDSYFO-UHFFFAOYSA-N- Molecular formula
- C9H9BrO3S
- Average molar mass
- 277.14 g/mol
- Monoisotopic mass
- 275.94557725
Names & identifiers
- Preferred name
- 2-Bromo-4'-(methylsulfonyl)acetophenone
- IUPAC
- 2-bromo-1-(4-methylsulfonylphenyl)ethanone
- English name
- 2-Bromo-1-[4-(methylsulfonyl)phenyl]-1-ethanone
- Molecular formula
- C9H9BrO3S
- Molecular weight
- 277.14
Names & synonyms
2-Bromo-4'-(methylsulfonyl)acetophenoneRefChem:466356678-177-450413-24-62-bromo-1-(4-(methylsulfonyl)phenyl)ethanone2-Bromo-1-[4-(methylsulfonyl)phenyl]-1-ethanone2-bromo-1-(4-methylsulfonylphenyl)ethanoneEthanone, 2-bromo-1-[4-(methylsulfonyl)phenyl]-2-bromo-1-[4-(methylsulfonyl)phenyl]ethanone2-Bromo-1-(4-methanesulfonyl-phenyl)-ethanoneC9H9BrO3SMFCD00673134
Show more names
2-Bromo-1-[4-(methylImrecoxib Impurity 24Imrecoxib Impurity 29Phenylephrine Impurity 1234-(Methylsulfonyl)phenacyl bromide4-(METHYLSULPHONYL)PHENACYL BROMIDE4-Methylsulfonyl-a-Bromoacetopyenone4-Methylsulfonyl-α-broMo acetophenone4-Methyl Sulfonyl-a-Bromo Acetophenone4-(Methylsulfonyl)-α-bromoacetophenone
2-bromo-1-(4-methanesulfonylphenyl)ethan-1-onep-methylsulfonylphenacyl bromideVBF9OCP8XOSCHEMBL1253502-bromo-1-(4-(methylsulfonyl)phenyl)ethan-1-one2-bromo-4'-(methylsulfonyl) acetophenoneCS-01865662-bromo-l-(4-(methylsulfonyl)phenyl)ethanone
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Melting point
- 126 °C · 126 °C
- Boiling point
- 428.4 · 428.4±41.0 °C(Predicted)
- Density
- 1.575 · 1.575±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- powder to crystal
- color
- White to Almost white
- CAS DataBase Reference
- 50413 · 50413-24-6(CAS DataBase Reference)
- FDA UNII
- 9 OCP8XO · VBF9OCP8XO
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312+H332-H314-H341
- Precautionary statements
- 201 · P201-P202-P260-P264-P270-P271-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P308+P313-P405-P501
- Hazard Codes
- C,Xi
- Risk Statements
- 34 · 34-36
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- ridadr
- 3261
- hs_code
- 2914390090
- risk_code
- 34-36
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS08
- hazard_code
- C,Xi
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45
- hazard_class
- IRRITANT
- packing_group
- II
- Hazard statements
- H302+H312+H332-H314-H341
- Precautionary statements
- P201-P202-P260-P264-P270-P271-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P308+P313-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
安徽合诺生物科技有限公司0555-2761852
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
89 records
Compound notes
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