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1-Ethynyl-4-(trifluoromethoxy)benzene

Catalog Number
ACM160542029-1
CAS Number
160542-02-9
Product Name
1-Ethynyl-4-(trifluoromethoxy)benzene
Category
Liquid Crystal (LC) Building Blocks; Liquid Crystal (LC) Materials
Synonyms
4-(Trifluoromethoxy)phenylacetylene
IUPAC Name
1-ethynyl-4-(trifluoromethoxy)benzene
Molecular Weight
186.13
Molecular Formula
C9H5F3O
Canonical SMILES
C#CC1=CC=C(C=C1)OC(F)(F)F
InChI
InChI=1S/C9H5F3O/c1-2-7-3-5-8(6-4-7)13-9(10,11)12/h1,3-6H
InChI Key
RWWGGRCLMVYXPM-UHFFFAOYSA-N
Purity
>97.0%(GC)
Density
Air Sensitive
Appearance
White to Yellow to Green clear liquid
Storage
Store under inert gas
Complexity
205
Covalently-Bonded Unit Count
1
Exact Mass
186.029249g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.H226 : Flammable liquid and vapor.
Heavy Atom Count
13
MDL Number
MFCD03094333
Monoisotopic Mass
186.029249g/mol
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P240 : Ground/bond container and receiving equipment.P210 : Keep away from heat/sparks/open flames/hot surfaces. No smoking.P233 : Keep container tightly closed.P243 : Take precautionary measures against static discharge.P241 : Use explosion-proof electrical/ ventilating/ lighting/ equipment.P242 : Use only non-sparking tools.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P370 + P378 : In case of fire: Use dry sand, dry chemical or alcohol-resistant foam to extinguish.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P303 + P361 + P353 : IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/shower.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P403 + P235 : Store in a well-ventilated place. Keep cool.
Refractive Index
1.46
Rotatable Bond Count
2
Signal Word
Warning
Specific Gravity
1.21
XLogP3
3.3
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