3-Fluorocatechol

HCID 67764
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Basic information

CAS
363-52-0
Standard SMILES
Oc1cccc(F)c1O
InChIKey
DXOSJQLIRGXWCF-UHFFFAOYSA-N
Molecular formula
C6H5FO2
Average molar mass
128.1 g/mol
Monoisotopic mass
128.02735756

Names & identifiers

Preferred name
3-Fluorocatechol
IUPAC
3-fluorobenzene-1,2-diol
English name
3-FLUOROCATECHOL
Molecular formula
C6H5FO2
Molecular weight
128.1

Names & synonyms

3-Fluorocatechol363-52-03-Fluorobenzene-1,2-diol1,2-Benzenediol, 3-fluoro-3-Fluoro-1,2-dihydroxybenzene3-Fluoro-1,2-benzenediolPyrocatechol, 3-fluoro-1,2-Dihydroxy-3-fluoroBenzeneCHEBI:39876DTXSID50189839RefChem:501960DTXCID60112330
Show more names
3-Fluorocatechol>3-Fluorocatechol,99%3-Fluorocatechol 99%Guaiacol Impurity 453-FLUOROCATECHOL 98+%3-Fluorobenznen-1,2-diol3-Fluoro-2-hydroxy-phenol
609-233-8MFCD000425821-Fluoro-2,3-dihydroxybenzene3-fluoro-benzene-1,2-diolCL8492CS-W0074823FASY028999

Database identifiers

CAS
363-52-0
PubChem CID
67764
DTXSID
DTXSID50189839
ChEMBL
CHEMBL1230120
ChEBI
CHEBI:39876
EC Number
609-233-8
Nikkaji
J100.369K

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
9

Physicochemical properties

Melting point
71 · 71-73 °C (lit.)
Boiling point
218.4 · 218.4±20.0 °C(Predicted)
Density
1.514 · 1.5140
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
solubility
Chloroform (Slightly), Methanol (Slightly)
pka
8.54 · 8.54±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (84.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (10.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (87%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (84.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 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.

Hazard information

Regulatory InformationChemical: 1,2-Benzenediol, 3-fluoro-
Hazard Classes and CategoriesAcute Tox. 4 (95.7%)；Acute Tox. 4 (84.8%)；Skin Corr. 1B (100%)；Skin Sens. 1 (10.9%)；Eye Dam. 1 (87%)；Acute Tox. 4 (84.8%)

Regulatory information

Regulatory InformationChemical: 1,2-Benzenediol, 3-fluoro-

Safety data

PPE
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk
3
ridadr
UN 3261 8/PG 2
hs_code
29081990
risk_code
20/21/22-34
Signal word
Danger

Chemistry & industry

Applications

Uses3-Fluorocatechol is a fluorinated catechol used in the preparation of synthetic humic acid as well as an intermediate in the preparation of 3-fluoroveratrole.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]

Additional notes

DefinitionChEBI: A catechol bearing an additional fluoro substituent at position 3.

Related reactions

32 records
New reaction record

Compound notes

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