CAS 452-75-5 4-Chloro-2-fluorotoluene (HCID 520630)

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Basic information

CAS: 452-75-5
Standard SMILES: Cc1ccc(Cl)cc1F
InChIKey: MKFCYQTVSDCXAQ-UHFFFAOYSA-N
Molecular formula: C7H6ClF
Average molar mass: 144.57 g/mol
Monoisotopic mass: 144.01420609

Names & identifiers

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

Names & synonyms

4-Chloro-2-fluorotoluene452-75-54-Chloro-2-fluoro-1-methylbenzeneEINECS 207-210-3MKFCYQTVSDCXAQ-UHFFFAOYSA-DTXSID10196428RefChem:98370DTXCID20118919207-210-3InChI=1/C7H6ClF/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3MKFCYQTVSDCXAQ-UHFFFAOYSA-N2-fluoro-4-chlorotoluene

Show more names

oro-2-fL2-Fluoro-4-chloro4-Chloro-2-fluorotoluene 99%4-Chloro-2-fluorotoluene >4-CHLORO-2-FLUOROTOLUENE, 99+%4-CHLORO-2-FLUOROTOLUENE, 98+%

Benzene, 4-chloro-2-fluoro-1-methyl-4-chloro-2-fluoro-1-methyl-benzeneMFCD00000571SCHEMBL91418SCHEMBL97244SCHEMBL160251SCHEMBL710722SCHEMBL2342620

Database identifiers

CAS: 452-75-5
PubChem CID: 520630
DTXSID: DTXSID10196428
EC Number: 207-210-3
Nikkaji: J196.152G

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: 94.9

Physicochemical properties

Boiling point: 158 °C/743 · 158 °C/743 mmHg (lit.)
Density: 1.186 g/mL · 1.186 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.498(lit.)
Flash point: 124 °F · 124 °F
storage temp.: Flammables area
form: clear liquid
color: Colorless to Light yellow to Light orange
Specific Gravity: 1.186 · 1.186
Water Solubility: INSOLUBLE
BRN: 1931682 · 1931682
InChI: InChI=1S/C7H6ClF/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
InChIKey: MKFCYQTVSDCXAQ-UHFFFAOYSA-N
SMILES: C1(C)=CC=C(Cl)C=C1F
CAS DataBase Reference: 452 · 452-75-5(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

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 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationBenzene, 4-chloro-2-fluoro-1-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesFlam. Liq. 3 (100%)