2-Bromo-5-fluorotoluene (HCID 96743)

Names & identifiers

Preferred name: 2-Bromo-5-fluorotoluene
IUPAC: 1-bromo-4-fluoro-2-methylbenzene
English name: 2-Bromo-5-fluorotoluene
Molecular formula: C7H6BrF
Molecular weight: 189.02

Names & synonyms

2-Bromo-5-fluorotoluene452-63-11-Bromo-4-fluoro-2-methylbenzeneBenzene, 1-bromo-4-fluoro-2-methyl-Z2EZM84G5X2-methyl-4-fluorobromobenzeneEINECS 207-203-5NSC-88287DTXSID90196421NSC 882874-FLUORO-2-METHYL-1-BROMOBENZENERefChem:466846

Show more names

2-BROMO-5-FULUOROTOLRENE2-Bromo-5-fL2-Bromo-5-fluorotolu2-Brom-5-fluortoluol2-Bromo-5-flurotoluene2-Bromo-5-fuluorotolueneTrelagliptin Impurity 59

DTXCID00118912207-203-53-Fluoro-6-bromotolueneMFCD00017921Trelagliptin Impurity 71-bromo-4-fluoro-2-methyl-benzene5-FLUORO-2-BROMOTOLUENE2-bromo-5-fluoro toluene

Database identifiers

CAS: 452-63-1
PubChem CID: 96743
DTXSID: DTXSID90196421
UNII: Z2EZM84G5X
EC Number: 207-203-5
Nikkaji: J196.150K

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: 177 °C/756 · 177 °C/756 mmHg (lit.)
Density: 1.495 g/mL · 1.495 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.526(lit.)
Flash point: 113 °F · 113 °F
storage temp.: Sealed in dry,Room Temperature
solubility: Difficult to mix.
form: clear liquid
color: Colorless to Light yellow to Light orange
Specific Gravity: 1.495 · 1.495
Water Solubility: INSOLUBLE
BRN: 1859121 · 1859121
InChI: InChI=1S/C7H6BrF/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3
InChIKey: RJPNVPITBYXBNB-UHFFFAOYSA-N
SMILES: C1(Br)=CC=C(F)C=C1C
CAS DataBase Reference: 452 · 452-63-1(CAS DataBase Reference)
FDA UNII: 2 EZM84G5X · Z2EZM84G5X
NIST Chemistry Reference: 2 · 2-Bromo-5-fluorotoluene(452-63-1)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H315-H319-H335
Precautionary statements: 210 · P210-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 10 · 10-36/37/38
Safety Statements: 16 · 16-26-36/37/39-37/39
RIDADR: 1993 · UN 1993 3/PG 3
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29049090 · 29049090
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (91.7%): 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 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 CategoriesFlam. Liq. 3 (91.7%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29049090
risk_code: 10-36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 16-26-36/37/39-37/39
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H226-H315-H319-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses2-Bromo-5-fluorotoluene is used to produce other chemicals. It can produce 2-Bromo-5-fluoro-benzoic acid. The reaction occurs with reagent KMnO4, solvent H2O and other condition of heating.