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2,2,2-Trifluoro-1-(2-methoxyphenyl)ethanol

HCID 2829248
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
26902-84-1
Standard SMILES
COc1ccccc1C(O)C(F)(F)F
InChIKey
KPPGXFAXHCGFCQ-UHFFFAOYSA-N
Molecular formula
C9H9F3O2
Average molar mass
206.16 g/mol
Monoisotopic mass
206.05546401

Names & identifiers

Preferred name
2,2,2-Trifluoro-1-(2-methoxyphenyl)ethanol
IUPAC
2,2,2-trifluoro-1-(2-methoxyphenyl)ethanol
English name
2,2,2-trifluoro-1-(2-Methoxyphenyl)ethanol
Molecular formula
C9H9F3O2
Molecular weight
206.16

Names & synonyms

2,2,2-trifluoro-1-(2-methoxyphenyl)ethanol26902-84-1DTXSID30385231RefChem:242460DTXCID403362542,2,2-trifluoro-1-(2-methoxyphenyl)ethan-1-olMFCD004618992-Methoxy-alpha-(trifluoromethyl)benzyl AlcoholCBMicro_047986SCHEMBL3991189AKOS010909216HS-7898
Show more names
2-Methoxy-α-(trifluoromethyl)benzenemethanolBenzenemethanol, 2-methoxy-α-(trifluoromethyl)-
SY249794BIM-0047931.P001DB-292057CS-03031432,2,2-trifluoro-1 -(2-methoxyphenyl)ethanolEN300-1936810SR-01000196509SR-01000196509-1

Database identifiers

CAS
26902-84-1
PubChem CID
2829248
DTXSID
DTXSID30385231
Nikkaji
J3.133.216H

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
29.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
181

Physicochemical properties

storage temp.
2 · 2-8°C
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Suppliers10 total

安徽合诺生物科技有限公司0555-2761852
安徽合诺生物科技有限公司18455579438
郑州药领医药科技有限公司13526569071 · [email protected]
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
北京蓝博中兴科技有限公司010-56330744 15210344275 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]

Related reactions

12 records
New reaction record
HRID 690047 reaction equation
HRID 690047As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 858680 reaction equation
HRID 858680As reactantuspto-grants-2006_12
HRID 858681 reaction equation
HRID 858681As productuspto-grants-2006_12
HRID 859648 reaction equation
HRID 859648As productuspto-grants-2006_12
HRID 859649 reaction equation
HRID 859649As reactantuspto-grants-2006_12
HRID 1438229 reaction equation
HRID 1438229As productuspto-grants-2009_11
HRID 1438230 reaction equation
HRID 1438230As reactantuspto-grants-2009_11
HRID 1453131 reaction equation
HRID 1453131As reactantuspto-grants-2009_01
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Compound notes

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