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1,3-Difluoro-5-(4-propyl-1-cyclohexen-1-yl)benzene

HCID 11368359
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
148151-00-2
Standard SMILES
CCCC1CC=C(c2cc(F)cc(F)c2)CC1
InChIKey
ZEVDXVPFQNRKEO-UHFFFAOYSA-N
Molecular formula
C15H18F2
Average molar mass
236.3 g/mol
Monoisotopic mass
236.1376569

Names & identifiers

Preferred name
1,3-Difluoro-5-(4-propyl-1-cyclohexen-1-yl)benzene
IUPAC
1,3-difluoro-5-(4-propylcyclohexen-1-yl)benzene

Names & synonyms

DTXSID4012280911,3-Difluoro-5-(4-propyl-1-cyclohexen-1-yl)benzene148151-00-2RefChem:414413DTXCID501659334SCHEMBL95484903',5'-Difluoro-4-propyl-2,3,4,5-tetrahydro-1,1'-biphenyl

Database identifiers

CAS
148151-00-2
PubChem CID
11368359
DTXSID
DTXSID401228091
EC Number
604-627-6

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
262

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

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P273, P280, P302+P352, P303+P361+P353, P305+P354+P338, P317, P321, P332+P317, P362+P364, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Related reactions

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Compound notes

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