CAS 710-18-9 1-Methoxy-4-(trifluoromethoxy)benzene (HCID 2724973)

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Basic information

CAS: 710-18-9
Standard SMILES: COc1ccc(OC(F)(F)F)cc1
InChIKey: NOAFZIOGGDPYKK-UHFFFAOYSA-N
Molecular formula: C8H7F3O2
Average molar mass: 192.13 g/mol
Monoisotopic mass: 192.03981412

Names & identifiers

Preferred name: 1-Methoxy-4-(trifluoromethoxy)benzene
IUPAC: 1-methoxy-4-(trifluoromethoxy)benzene
English name: 4-(Trifluoromethoxy)anisole
Molecular formula: C8H7F3O2
Molecular weight: 192.14

Names & synonyms

710-18-91-methoxy-4-(trifluoromethoxy)benzeneNOAFZIOGGDPYKK-UHFFFAOYSA-RefChem:433541615-239-1InChI=1/C8H7F3O2/c1-12-6-2-4-7(5-3-6)13-8(9,10)11/h2-5H,1H34-(Trifluoromethoxy)anisole4-trifluoromethoxyanisoleMFCD00216942trifluoro(4-methoxyphenoxy)methaneBenzene, 1-methoxy-4-(trifluoromethoxy)-SCHEMBL160011

Show more names

S37/39uoromethoxy)anisoL4-(Trifluoromethoxy)AP-(TRIFLUOROMETHOXY)ANISOLEFor trifluoromethoxy anisole4-(Trifluoromethoxy)anisole98%4-(Trifluoromethoxy)anisole 98%4-(Trifluoromethoxy)anisole, 99+%

SCHEMBL514499SCHEMBL514500SCHEMBL1068038DTXSID60369307XUXZDVZINBFGOV-UHFFFAOYSA-N4-(Trifluoromethoxy)anisole, 98%2-methoxy-5-trifluoromethoxybenzeneSBB091375

Database identifiers

CAS: 710-18-9
PubChem CID: 2724973
DTXSID: DTXSID60369307
EC Number: 615-239-1
Nikkaji: J978.662G

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 150

Physicochemical properties

Boiling point: 164 °C · 164 °C (lit.)
Density: 1.266 g/mL · 1.266 g/mL at 25 °C (lit.)
refractive index: 1.4309 · 1.4309-1.4329
Flash point: 58 °C · 58°C
storage temp.: Sealed in dry,Room Temperature
form: liquid
Specific Gravity: 1.266 · 1.266
color: Clear, colourless
BRN: 2556809 · 2556809
InChI: 1S/C8H7F3O2/c1-12-6-2-4-7(5-3-6)13-8(9,10)11/h2-5H,1H3
InChIKey: NOAFZIOGGDPYKK-UHFFFAOYSA-N
SMILES: COc1ccc(OC(F)(F)F)cc1
CAS DataBase Reference: 710 · 710-18-9(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (97.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.