Basic information
- CAS
32412-39-8- Standard SMILES
CCC(=O)c1ccc(Br)s1- InChIKey
JQAYKLHWCBPAEX-UHFFFAOYSA-N- Molecular formula
- C7H7BrOS
- Average molar mass
- 219.1 g/mol
- Monoisotopic mass
- 217.9401
Names & identifiers
- Preferred name
- 1-(5-Bromothiophen-2-yl)propan-1-one
- IUPAC
- 1-(5-bromothiophen-2-yl)propan-1-one
- English name
- 1-(5-Bromo-thiophen-2-yl)-propan-1-one
- Molecular formula
- C7H7BrOS
- Molecular weight
- 219.1
Names & synonyms
1-(5-bromothiophen-2-yl)propan-1-one32412-39-81-(5-bromothien-2-yl)propan-1-one1-(5-bromo-2-thienyl)propan-1-oneMFCD019936821-(5-bromo-thiophen-2-yl)-propan-1-one1-(5-bromo-2-thienyl)-1-propanoneNSC80373SCHEMBL8470505-bromo-2-thienyl ethyl ketoneDTXSID50292110ALBB-002876
Show more names
CHEMBRDG-BB 43030541-(5-bromo-2-thiophene)propyl-1-one1-Propanone, 1-(5-bromo-2-thienyl)-1-(5-Bromothiophen-2-yl)propan-1-one - [B93528]1-(5-bromo-2-thienyl)propan-1-one(SALTDATA: FREE)
BBL037376NSC-80373STK317650AKOS0039563391-(5-Bromothiophen-2-yl)-1-propanoneSY123001VS-14109CS-0046834
Database identifiers
- CAS
32412-39-8- PubChem CID
- 255121
- DTXSID
DTXSID50292110- Nikkaji
- J3.221.520C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Melting point
- 57 °C · 57 °C
- Boiling point
- 142 °C · 142 °C(Press: 13 Torr)
- Density
- 1.53 · 1.530±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- HazardClass
- IRRITANT
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
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
- Hazard statements
- H302-H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers23 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
许昌峰飞新材料科技有限公司19713077352; 19713077352 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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