CAS 452-76-6 2,4-Difluoro-1-methylbenzene (HCID 67983)

Overview

structure in first source

Names & identifiers

Preferred name: 2,4-Difluoro-1-methylbenzene
IUPAC: 2,4-difluoro-1-methylbenzene
English name: 2,4-Difluorotoluene
Molecular formula: C7H6F2
Molecular weight: 128.12

Names & synonyms

2,4-Difluorotoluene452-76-62,4-Difluoro-1-methylbenzeneDifluorotolueneRMK2YU8CT4NSC-3465DTXSID701964292F-tolueneRefChem:82431DTXCID30118920207-211-9Benzene, 2,4-difluoro-1-methyl-

Show more names

2,4-Difluorobenzyl2,4-DIFLUOROTOLUNE2,4-DIFLUOROTOLUINE2,4-Difluorotoluene99%2,4-Difluorotoluene 99%2,4-Difluorotoluene, 98+%2.4-Difluoro methyl benzene1-Methyl-2,4-difluorobenzene

2,4-difluoro-tolueneMFCD000003322,4-DIFLUORO-1-METHYL-BENZENEEINECS 207-211-9UNII-RMK2YU8CT4SCHEMBL60954SCHEMBL96362SCHEMBL99060

Database identifiers

CAS: 452-76-6
PubChem CID: 67983
DTXSID: DTXSID70196429
UNII: RMK2YU8CT4
EC Number: 207-211-9
Nikkaji: J150.023F

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 92.9

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials PropertiesHindering potential

Physical DescriptionColorless liquid with an aromatic odor; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: -35 °C · -35 °C
Boiling point: 113 · 113-117 °C (lit.)
Density: 1.12 g/mL · 1.12 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.449(lit.)
Flash point: 59 °F · 59 °F
storage temp.: 2 · Sealed in dry,2-8°C
form: Liquid
Specific Gravity: 1.12 · 1.120
color: Clear colorless
BRN: 1931681 · 1931681
InChI: InChI=1S/C7H6F2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
InChIKey: MPXDAIBTYWGBSL-UHFFFAOYSA-N
SMILES: C1(C)=CC=C(F)C=C1F
CAS DataBase Reference: 452 · 452-76-6(CAS DataBase Reference)
FDA UNII: 2 YU8CT4 · RMK2YU8CT4
NIST Chemistry Reference: 2 · 2,4-Difluorotoluene(452-76-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 315 · H315-H319-H335-H225
Precautionary statements: 210 · P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P403+P235-P501-P261-P305+P351+P338-P405-P501a
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: F,F+
Risk Statements: 11 · 11
Safety Statements: 16 · 16-29-33
RIDADR: 1993 · UN 1993 3/PG 2
WGK Germany: 3 · 3
Hazard Note: Flammable
HazardClass: 3 · 3
PackingGroup: II
HS Code: 29039990 · 29039990
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 · Flam. Liq. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

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

Hazards SummaryHighly flammable; A skin and strong eye irritant; [Alfa Aesar MSDS] See Toluene.

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 1993 3/PG 2
hs_code: 29039990
risk_code: 11
Signal word: Danger
Symbol(GHS): GHS02,GHS07
hazard_code: F,F+
hazard_note: Flammable
safety_code: 16-29-33
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: II
Hazard statements: H315-H319-H335-H225
Hazard Classifications: Flam. Liq. 2
Precautionary statements: P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P403+P235-P501-P261-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses2,4-Difluorotoluene was used in the synthesis of new hydrophobic isosteres of pyrimidines and purine nucleosides.

General Description2,4-Difluorotoluene was synthesized as a nucleotide analog and was incorporated into DNA and undergoes replication by DNA polymerase enzymes.