Basic information
- CAS
92737-01-4- Standard SMILES
O=C(CBr)C(F)(F)C(F)(F)F- InChIKey
HHGIRNBWKHUFNA-UHFFFAOYSA-N- Molecular formula
- C4H2BrF5O
- Average molar mass
- 240.95 g/mol
- Monoisotopic mass
- 239.92091788
Names & identifiers
- Preferred name
- 1-Bromo-3,3,4,4,4-pentafluorobutan-2-one
- IUPAC
- 1-bromo-3,3,4,4,4-pentafluorobutan-2-one
- English name
- 1-Bromo-3,3,4,4,4-pentafluoro-2-butanone
- Molecular formula
- C4H2BrF5O
- Molecular weight
- 240.95
Names & synonyms
92737-01-41-bromo-3,3,4,4,4-pentafluorobutan-2-oneDTXSID40371302RefChem:228426DTXCID60322336679-277-01-Bromo-3,3,4,4,4-pentafluoro-2-butanoneMFCD00041447C4H2BrF5O2-Butanone, 1-bromo-3,3,4,4,4-pentafluoro-SCHEMBL1826109SBB099355
Show more names
4-Bromo-3-oxo-1,1,1,2,2-pentafluorobutane1-Bromo-3,3,4,4,4-pentafluorobutan-2-one98%1-Bromo-3,3,4,4,4-pentafluorobutan-2-one 98%
AKOS015836026FB855901-Bromo-3,3,4,4,4-pentafluorobutanoneBS-22691DB-057325ST510401431-bromo-3,3,4,4,4-pentafluoro-butan-2-one1-Bromo-3,3,4,4,4-pentafluoro-2-butanone, AldrichCPR
Database identifiers
- CAS
92737-01-4- PubChem CID
- 2736355
- DTXSID
DTXSID40371302- EC Number
- 679-277-0
- Nikkaji
- J364.726I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Boiling point
- 93 · 93-94°C
- Flash point
- 93 · 93-94°C
- form
- solid
- Sensitive
- Lachrymatory
- InChI
- 1S/C4H2BrF5O/c5-1-2(11)3(6,7)4(8,9)10/h1H2
- InChIKey
- HHGIRNBWKHUFNA-UHFFFAOYSA-N
- SMILES
- FC(F)(F)C(F)(F)C(=O)CBr
- CAS DataBase Reference
- 92737 · 92737-01-4(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Warning
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
- Hazard Codes
- C,Xi
- Risk Statements
- 36 · 36/37/38-36
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3265 · 3265
- WGK Germany
- 3 · 3
- Hazard Note
- Corrosive/Lachrymatory
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 2914790090 · 2914790090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 · Eye Irrit. 2
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- wgk
- 3
- ridadr
- 3265
- hs_code
- 2914790090
- risk_code
- 36/37/38-36
- Signal word
- Warning
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi
- hazard_note
- Corrosive/Lachrymatory
- safety_code
- 26-36/37/39
- hazard_class
- 8
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H314-H318
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses1-Bromo-3,3,4,4,4-pentafluoro-2-butanone is a pesticide intermediate, and some literature reports that it can be used to prepare pest control agents for harmful arthropods.
Suppliers17 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [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]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海启乔生物科技有限公司021-37653318 15221675714 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
中科双航化学（大连）有限公司+86-411-66858498 13941194417 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
郑州研德生物科技有限公司13298105281 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
6 records
Compound notes
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