1-(Difluoromethoxy)-4-ethynylbenzene

HCID 2778497CAS 519059-04-2
Substructure searchFind similar structures

Basic information

Standard SMILES
C#Cc1ccc(OC(F)F)cc1
InChIKey
DBBZSMZFFFJZRP-UHFFFAOYSA-N
Molecular formula
C9H6F2O
Average molar mass
168.14 g/mol
Monoisotopic mass
168.03867125

Names & identifiers

Preferred name
1-(Difluoromethoxy)-4-ethynylbenzene
IUPAC
1-(difluoromethoxy)-4-ethynylbenzene
English name
4-(Difluoromethoxy)phenylacetylene
Molecular formula
C9H6F2O
Molecular weight
168.14

Names & synonyms

1-(difluoromethoxy)-4-ethynylbenzene519059-04-24-(Difluoromethoxy)phenylacetyleneMFCD03094335Benzene, 1-(difluoromethoxy)-4-ethynyl-SCHEMBL2794280(4-ethynylphenoxy)difluoromethaneDTXSID80380978YQF13541-difluoromethoxy-4-ethynylbenzene1-difluoromethoxy-4-ethynyl-benzeneUVA05904
Show more names
SBB088142AKOS009158242SY508547CS-0107245D76714EN300-1254873F6063571-(Difluoromethoxy)-4-ethynylbenzene - [D93753]

Database identifiers

CAS
519059-04-2
PubChem CID
2778497
DTXSID
DTXSID80380978
EC Number
190-413-3

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
12

Physicochemical properties

Boiling point
192 · 192.0±35.0 °C(Predicted)
Density
1.19 · 1.19±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C, stored under nitrogen
form
liquid
color
Clear, yellow
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

hs_code
2909309090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant
Hazard statements
H302+H312+H332-H315-H319-H335

Chemistry & industry

Suppliers6 total

上海药森生物科技有限公司18916117619 18916117619
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]

Related reactions

23 records
New reaction record

Linked notes

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