4-(Difluoromethoxy)benzyl alcohol

HCID 2736996

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Basic information

CAS: 170924-50-2
Standard SMILES: OCc1ccc(OC(F)F)cc1
InChIKey: HSIDWXYUJAUALR-UHFFFAOYSA-N
Molecular formula: C8H8F2O2
Average molar mass: 174.14 g/mol
Monoisotopic mass: 174.04923582

Names & identifiers

Preferred name: 4-(Difluoromethoxy)benzyl alcohol
IUPAC: [4-(difluoromethoxy)phenyl]methanol
English name: 4-(Difluoromethoxy)benzyl alcohol
Molecular formula: C8H8F2O2
Molecular weight: 174.14

Names & synonyms

4-(Difluoromethoxy)benzyl alcohol170924-50-2DTXSID70371754RefChem:288839DTXCID30322787671-870-2[4-(difluoromethoxy)phenyl]methanol(4-(Difluoromethoxy)phenyl)methanol659-33-6Benzene, 1-(difluoromethoxy)-4-methoxy-MFCD002362284-difluoromethoxybenzyl alcohol

Show more names

RARECHEM AL BD 02794-(Difluoromethoxy)benzylalcohol98%4-(Difluoromethoxy)benzyl alcohol 98%

[4-(difluoromethoxy)phenyl]methan-1-olBenzenemethanol, 4-(difluoromethoxy)-4-difluorometho4-(Difluoromethoxy) Benzyl AlcoholSCHEMBL1780636SCHEMBL3282513YQF0974PJIYFBQQLZCVAC-UHFFFAOYSA-N

Database identifiers

CAS: 170924-50-2
PubChem CID: 2736996
DTXSID: DTXSID70371754
EC Number: 671-870-2

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 122

Physicochemical properties

Boiling point: 78 · 78-80/0.2mm
Density: 1.257 · 1.257±0.06 g/cm3 (20 ºC 760 Torr)
Flash point: 119.1 · 119.1±22.5℃
refractive index: 1.4855 · 1.4855
storage temp.: Sealed in dry,Room Temperature
pka: 14.17 · 14.17±0.10(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Hazard Note: Irritant
HS Code: 2909498090 · 2909498090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.