CAS 35852-58-5 2-Chloro-4-(trifluoromethyl)phenol (HCID 2736603)

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Basic information

CAS: 35852-58-5
Standard SMILES: Oc1ccc(C(F)(F)F)cc1Cl
InChIKey: YNWKEXMSQQUMEL-UHFFFAOYSA-N
Molecular formula: C7H4ClF3O
Average molar mass: 196.55 g/mol
Monoisotopic mass: 195.99027709

Names & identifiers

Preferred name: 2-Chloro-4-(trifluoromethyl)phenol
IUPAC: 2-chloro-4-(trifluoromethyl)phenol
English name: 3-Chloro-4-hydroxybenzotrifluoride
Molecular formula: C7H4ClF3O
Molecular weight: 196.55

Names & synonyms

2-chloro-4-(trifluoromethyl)phenol35852-58-5DTXSID30371472RefChem:258723DTXCID90322506670-858-43-Chloro-4-hydroxybenzotrifluoride2-Chloro-4-(trifuloromethyl)phenol2-chloro-4-trifluoromethylphenolMFCD000422172-chloro-4-trifluoromethyl phenolchloro-4-trifluoromethyl-phenol

Show more names

3-Chloro-4-hydroxybe3-chloro-4-hydroxytrifluoromethylene3-Chloro-4-hydroxybenzotrifluoride98%3-Chloro-4-hydroxybenzotrifluoride 98%2-chloro-4-(trifluoromethyl)phenol - [C86577]

CK1181AKOS009158814AC-3779C33552-chloro-alpha,alpha,alpha-trifluoro-p-cresolEN300-1253182Phenol, 2-chloro-4-(trifluoromethyl)-2-chloro-4-trifluoromethylphenl

Database identifiers

CAS: 35852-58-5
PubChem CID: 2736603
DTXSID: DTXSID30371472
EC Number: 670-858-4
Nikkaji: J1.519.761G

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 159

Physicochemical properties

Boiling point: 66 °C/13mmHg · 66°C/13mmHg(lit.)
Density: 1.474 · 1.474±0.06 g/cm3(Predicted)
refractive index: 1.474 to · 1.4740 to 1.4780
Flash point: 68 °C · 68°C(lit.)
storage temp.: 2 · 2-8°C
form: clear liquid
pka: 7.09 · 7.09±0.18(Predicted)
color: Colorless to Light yellow
InChI: InChI=1S/C7H4ClF3O/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3,12H
InChIKey: YNWKEXMSQQUMEL-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(C(F)(F)F)C=C1Cl
CAS DataBase Reference: 35852 · 35852-58-5(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.