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1,1,2-Trifluorobut-1-ene

HCID 2777074
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
383-84-6
Standard SMILES
CCC(F)=C(F)F
InChIKey
DZWYKNVXBDJJHP-UHFFFAOYSA-N
Molecular formula
C4H5F3
Average molar mass
110.08 g/mol
Monoisotopic mass
110.03433465

Names & identifiers

Preferred name
1,1,2-Trifluorobut-1-ene
IUPAC
1,1,2-trifluorobut-1-ene
English name
1,1,2-Trifluoro-1-butene
Molecular formula
C4H5F3
Molecular weight
110.08

Names & synonyms

1,1,2-trifluorobut-1-ene383-84-6DTXSID30380362RefChem:1051699DTXCID203313881,1,2-trifluoro-1-buteneSCHEMBL244874SCHEMBL294413SCHEMBL4084687DZWYKNVXBDJJHP-UHFFFAOYSA-NMFCD00077602AKOS025212132
Show more names
1,1,2-TRIFLUOROBUTENE-11-Butene, 1,1,2-trifluoro-1,1,2-Trifluorobut-1-ene97%1,1,2-Trifluorobut-1-ene 97%

Database identifiers

CAS
383-84-6
PubChem CID
2777074
DTXSID
DTXSID30380362
Nikkaji
J2.940.354F

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
7
Formal charge
0
Complexity
80.9

Physicochemical properties

Boiling point
13 °C · 13 °C
Density
1.057 · 1.057±0.06 g/cm3(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335-H221-H280
Precautionary statements
271 · P271-P261-P210
Hazard Codes
Xi
Risk Statements
11 · 11
Safety Statements
16 · 16-23-33
RIDADR
3161 · 3161
Hazard Note
Irritant
HS Code
2903590090 · 2903590090

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

ridadr
3161
hs_code
2903590090
risk_code
11
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant
safety_code
16-23-33
Hazard statements
H315-H319-H335-H221-H280
Precautionary statements
P271-P261-P210

Chemistry & industry

Suppliers4 total

常州新氟化学有限公司13275212658 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

1 records
New reaction record
HRID 2134544 reaction equation
HRID 2134544As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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