Basic information
- CAS
3114-08-7- Standard SMILES
Cc1cc(C(=O)CBr)ccc1Br- InChIKey
KFXVSKIKSXJAJS-UHFFFAOYSA-N- Molecular formula
- C9H8Br2O
- Average molar mass
- 291.97 g/mol
- Monoisotopic mass
- 289.89418908
Names & identifiers
- Preferred name
- 2-Bromo-1-(4-bromo-3-methylphenyl)ethanone
- IUPAC
- 2-bromo-1-(4-bromo-3-methylphenyl)ethanone
- English name
- 2-broMo-1-(4-broMo-3-Methylphenyl)ethanone
- Molecular formula
- C9H8Br2O
- Molecular weight
- 291.97
Names & synonyms
2-Bromo-1-(4-bromo-3-methylphenyl)ethanone3114-08-7MFCD202668274-Bromo-3-methylphenacyl bromide2-bromo-1-(4-bromo-3-methyl-phenyl)ethanone2-Bromo-1-(4-bromo-3-methylphenyl)ethan-1-oneSCHEMBL883208DTXSID30731173KFXVSKIKSXJAJS-UHFFFAOYSA-NAKOS016003292SY358433DB-122022
Show more names
4-Bromo-3-methylphenacylbromide,techEthanone, 2-bromo-1-(4-bromo-3-methylphenyl)-2-BROMO-1-(4-BROMO-3-METHYLPHENYL)ETHANONE（WS201424）
CS-02109252-Bromo-1-(4-bromo-3-methyl-phenyl)-ethanoneW17012
Database identifiers
- CAS
3114-08-7- PubChem CID
- 59166346
- DTXSID
DTXSID30731173
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- form
- powder
- color
- Off white (hint of lemon)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 271 · P271-P260-P280
- HS Code
- 2914500090 · 2914500090
Safety & regulation
Safety data
- hs_code
- 2914500090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P271-P260-P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers15 total
天津英伦科技有限公司010-010-1234567 17526513758 · [email protected]
上海恬枫生物科技有限公司18221172427; 18221172427 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
上海金源瑞医药科技有限公司021-18217523 18217523428 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
北京开美科尔化工产品有限公司010-56130310 15313443500 · [email protected]
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]
上海丸全化学科技有限公司18721745940 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
上海恬枫生物科技有限公司18717800556 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
凌源贝卞森生物科技有限公司18642120371 · [email protected]
Related reactions
4 records
Compound notes
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