4-Methyl-2,3,5,6-tetrafluorobenzyl alcohol

HCID 2734209CAS 79538-03-7
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1c(F)c(F)c(CO)c(F)c1F
InChIKey
PJCSTULKVNHEGW-UHFFFAOYSA-N
Molecular formula
C8H6F4O
Average molar mass
194.13 g/mol
Monoisotopic mass
194.03547746

Names & identifiers

Preferred name
4-Methyl-2,3,5,6-tetrafluorobenzyl alcohol
IUPAC
(2,3,5,6-tetrafluoro-4-methylphenyl)methanol
English name
2,3,5,6-Tetrafluoro-4-methylbenzyl alcohol
Molecular formula
C8H6F4O
Molecular weight
194.13

Names & synonyms

79538-03-74-methyl-2,3,5,6-tetrafluorobenzyl alcoholRefChem:10710712,3,5,6-Tetrafluoro-4-methylbenzyl alcohol(2,3,5,6-tetrafluoro-4-methylphenyl)methanolMFCD030932602,3,5,6-Tetrafluoro-4-methylbenzylalcohol2,3,5,6-Tetrafluoro-4-methylbenzenemethanol2,3,5,6-(Tetrafluoro-4-methylphenyl)methanol;(2,3,5,6-Tetrafluoro-4-methylphenyl)methanolBenzenemethanol, 2,3,5,6-tetrafluoro-4-methyl-Tefluthrin metabolite II4-methyl-2,3,5,6-tetrafluoro lbenzyl alcohol
Show more names
2,3,5,6-TETRAFLUORO-4-METHYLBENYL ALCOHOL4-methyl-2,3,5,6-tetrafluorolbenzylalcohol4-METHYL-2,3,5,6-TETRAFLUOROBENZENEMETHANOL2,3,5,6-Tetrafluoro-4-methylbenzyl alcohol Basic information(4-Methyl-2,3,5,6-tetrafluorophenyl)methanol, 4-(Hydroxymethyl)-2,3,5,6-tetrafluorotoluene
(2,3,5,6-tetrafluoro-4-methyl-phenyl)methanol(2,3,5,6-tetrafluoro-4-methylphenyl)methan-1-olSCHEMBL359368Tefluthrin Related Compound 1SCHEMBL1073230SCHEMBL9311187tetrafluoro-4-methylbenzylalcoholDTXSID50370164

Database identifiers

CAS
79538-03-7
PubChem CID
2734209
DTXSID
DTXSID50370164
EC Number
453-520-9、616-698-0
Nikkaji
J1.797.219G

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Melting point
61 · 61-62°C
Boiling point
201.4 · 201.4±35.0 °C(Predicted)
Density
1.423 · 1.423±0.06 g/cm3(Predicted)
storage temp.
-20 °C · -20°C Freezer
solubility
Chloroform (Slightly), Methanol (Slightly)
form
Solid

Safety & regulation

Hazard information

Regulatory InformationStatus: No longer Valid Update: 08-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/4667

Regulatory information

Regulatory InformationStatus: No longer Valid Update: 08-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/4667

Safety data

hs_code
2906290020
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant

Chemistry & industry

Uses & manufacturing

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Applications

Uses2,3,5,6-Tetrafluoro-4-methylbenzyl alcohol is an intermediate of heptaflupyrrol.

Upstream & downstream products

Upstream raw materials

Suppliers50 total

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北博杰生物科技有限公司0713-2060728 15629612610
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

13 records
New reaction record

Linked notes

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