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2-Bromo-1,1,1,4,4,4-hexafluoro-2-butene

HCID 5366001
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
20591-32-6
Standard SMILES
FC(F)(F)/C=C(\Br)C(F)(F)F
InChIKey
KSWYRKGFPCBMHX-UHFFFAOYSA-N
Molecular formula
C4HBrF6
Average molar mass
242.94 g/mol
Monoisotopic mass
241.91658

Names & identifiers

Preferred name
2-Bromo-1,1,1,4,4,4-hexafluoro-2-butene
IUPAC
(Z)-2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene
English name
2-BROMO-1,1,1,4,4,4-HEXAFLUORO-2-BUTENE
Molecular formula
C4HBrF6
Molecular weight
242.94

Names & synonyms

2-Bromo-1,1,1,4,4,4-hexafluoro-2-butene400-41-920591-32-6MFCD03095421(Z)-2-bromo-1,1,1,4,4,4-hexafluorobut-2-eneC4HBrF6(Z)-2-bromo-1,1,1,4,4,4-hexafluoro-2-butene2-bromo-1,1,1,4,4,4-hexafluorobut-2-eneUNII-XV4E8F5NUJ(E/Z)-2-Bromo-1,1,1,4,4,4-hexafluoro-2-butene2-Butene, 2-bromo-1,1,1,4,4,4-hexafluoro-A824865
Show more names
2-Bromo-3H-hexafluorobut-2-ene2-Bromo-3H-hexafluorobut-2-ene 97%Abamectin Impurity 3(Abamectin A2a)2-Bromo-1,1,1,4,4,4-hexafluorobut-2-ene, 2-Bromo-1,1,1,4,4,4-hexafluoro-2-butene
SCHEMBL1997153SBB099644AKOS015833907AKOS025310030Halothane Impurity 4 (Halothane EP Impurity D)(2Z)-2-bromo-1,1,1,4,4,4-hexafluorobut-2-ene(Z)-2-bromo-1,1,1,4,4,4-hexafluoro-but-2-ene(2Z)-2-Bromo-1,1,1,4,4,4-hexafluoro-2-butene #

Database identifiers

CAS
20591-32-6、400-41-9
PubChem CID
5366001
EC Number
671-624-4
Nikkaji
J42.724A

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
0
Heavy atoms
11
Formal charge
0
Complexity
162

Physicochemical properties

Boiling point
55 °C · 55 °C
Density
1.813 · 1.813±0.06 g/cm3(Predicted)
CAS DataBase Reference
400 · 400-41-9(CAS DataBase Reference)
Symbol(GHS)
6 · GHS06
Signal word
Danger
Hazard statements
301 · H301+H311+H331-H315-H319-H335
Precautionary statements
280 · P280-P309+P311
Hazard Codes
T,Xi
Risk Statements
23 · 23/24/25
Safety Statements
23 · 23-36/37/39
RIDADR
2810 · 2810
Hazard Note
Toxic
HazardClass
IRRITANT, TOXIC
HS Code
2903793090 · 2903793090

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 · 4 items

Danger

H301+H311 (50%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, 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 CategoriesSkin Irrit. 2 (50%)

Safety data

ridadr
2810
hs_code
2903793090
risk_code
23/24/25
Signal word
Danger
Symbol(GHS)
GHS06
hazard_code
T,Xi
hazard_note
Toxic
safety_code
23-36/37/39
hazard_class
IRRITANT, TOXIC
Hazard statements
H301+H311+H331-H315-H319-H335
Precautionary statements
P280-P309+P311

Chemistry & industry

Suppliers9 total

武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
商丘市建盟新能源科技有限公司19711218988 18238092829 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]

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Compound notes

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