2-Chloro-4-fluorophenol

HCID 74814CAS 1996-41-4
Substructure searchFind similar structures

Basic information

Standard SMILES
Oc1ccc(F)cc1Cl
InChIKey
IGYXYGDEYHNFFT-UHFFFAOYSA-N
Molecular formula
C6H4ClFO
Average molar mass
146.54 g/mol
Monoisotopic mass
145.99347065

Names & identifiers

Preferred name
2-Chloro-4-fluorophenol
IUPAC
2-chloro-4-fluorophenol
English name
2-Chloro-4-fluorophenol
Molecular formula
C6H4ClFO
Molecular weight
146.55

Names & synonyms

2-CHLORO-4-FLUOROPHENOL1996-41-4Phenol, 2-chloro-4-fluoro-EINECS 217-876-7DTXSID60173744NSC 10273RefChem:86235DTXCID4096235Phenol, 2-chloro-4-fluoro-(8CI)Phenol, 2-chloro-4-fluoro-(8CI)(9CI)217-876-7IGYXYGDEYHNFFT-UHFFFAOYSA-N
Show more names
2-Chloro-4-fluorophe2-Chloro-4-fluoropheno4-FLUORO-2-CHLOROPHENOL2-Chloro-4-fluorophenol99%2-Chloro-4-fluorophenol >2-Chloro-4-fluorophenol 99%2-Chloro-4-fluorophenol,97%
InChI=1/C6H4ClFO/c7-5-3-4(8)1-2-6(5)9/h1-3,92-chlor-4-fluorophenol2-chloro-4-fluoro-phenolMFCD00002168SCHEMBL104856NSC-10273AKOS000119579CS-W007676

Database identifiers

CAS
1996-41-4
PubChem CID
74814
DTXSID
DTXSID60173744
UNII
KZ55A7Y5ER
EC Number
217-876-7
Nikkaji
J199.808K

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
9

Physicochemical properties

Melting point
23 °C · 23 °C (lit.)
Boiling point
88 °C/4 · 88 °C/4 mmHg (lit.)
Density
1.344 g/mL · 1.344 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.53(lit.)
Flash point
167 °F · 167 °F
storage temp.
Inert atmosphere,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (12.5%)

Safety data

F
9
PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
hs_code
29081000
risk_code
36/37/38-20/21/22
Signal word
Warning

Chemistry & industry

Applications

Uses2-Chloro-4-fluorophenol was used in enzymatic production of fluorocatechols.

Upstream & downstream products

Suppliers50 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]
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]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

Related reactions

98 records
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Linked notes

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