CAS 452-73-3 2-Chloro-4-fluorotoluene (HCID 96747)

Substructure search Find similar structures

Basic information

CAS: 452-73-3
Standard SMILES: Cc1ccc(F)cc1Cl
InChIKey: CSARJIQZOSVYHA-UHFFFAOYSA-N
Molecular formula: C7H6ClF
Average molar mass: 144.57 g/mol
Monoisotopic mass: 144.014206

Names & identifiers

Preferred name: 2-Chloro-4-fluorotoluene
IUPAC: 2-chloro-4-fluoro-1-methylbenzene
English name: 2-Chloro-4-fluorotoluene
Molecular formula: C7H6ClF
Molecular weight: 144.57

Names & synonyms

2-Chloro-4-fluorotoluene452-73-32-Chloro-4-fluoro-1-methylbenzeneBenzene, 2-chloro-4-fluoro-1-methyl-4-fluoro-2-chlorotolueneGP4EY2J3GPEINECS 207-209-8NSC-88317DTXSID50196427NSC 88317TOLUENE, 2-CHLORO-4-FLUORO-RefChem:468997

Show more names

2-Chlor-4-fluortoluoloro-4-fL2-CHLORO-3-FLUOROTOLU2-Chloro-4-fluorotoluene >2-Chloro-4-fluorotoluene 98%2-Chloro-4-fluorotoluene,98%3-Chloro-4-methylphenyl fluoride

DTXCID60118918207-209-82-Chloro-4-fluorotolueneCMFCD00000572NSC883172-chloro-4fluorotoluene4-Fluor-2-chlor-toluolUNII-GP4EY2J3GP

Database identifiers

CAS: 452-73-3
PubChem CID: 96747
DTXSID: DTXSID50196427
UNII: GP4EY2J3GP
EC Number: 207-209-8
Nikkaji: J149.709J

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 94

Physicochemical properties

Boiling point: 154 · 154-156 °C (lit.)
Density: 1.197 g/mL · 1.197 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.499(lit.)
Flash point: 122 °F · 122 °F
storage temp.: 2 · 2-8°C
form: clear liquid
color: Colorless to Light yellow
Specific Gravity: 1.197 · 1.197
BRN: 1931690 · 1931690
InChI: InChI=1S/C7H6ClF/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3
InChIKey: CSARJIQZOSVYHA-UHFFFAOYSA-N
SMILES: C1(C)=CC=C(F)C=C1Cl
CAS DataBase Reference: 452 · 452-73-3(CAS DataBase Reference)
FDA UNII: 4 EY2J3GP · GP4EY2J3GP
NIST Chemistry Reference: 2 · 2-Chloro-4-fluorotoluene(452-73-3)
UNSPSC Code: 12352101 · 12352101

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 InformationBenzene, 2-chloro-4-fluoro-1-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (97.8%)；Eye Irrit. 2 (97.8%)；STOT SE 3 (95.7%)

Regulatory information

Regulatory InformationBenzene, 2-chloro-4-fluoro-1-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Chemistry & industry

Applications

Uses2-Chloro-4-fluorotoluene has been used in the preparation of 2-chloro-4-fluoro-benzylbromide.

General Description2-Chloro-4-fluorotoluene generates vibronically excited, jet-cooled benzyl-type radicals by corona excited supersonic expansion coupled with a pinhole-type glass nozzle technique.