CAS 452-62-0 3-Bromo-4-fluorotoluene (HCID 96745)

Names & identifiers

Preferred name: 3-Bromo-4-fluorotoluene
IUPAC: 2-bromo-1-fluoro-4-methylbenzene
English name: 3-Bromo-4-fluorotoluene
Molecular formula: C7H6BrF
Molecular weight: 189.02

Names & synonyms

3-Bromo-4-fluorotoluene452-62-02-bromo-1-fluoro-4-methylbenzeneBenzene, 2-bromo-1-fluoro-4-methyl-SNF4C42NWZEINECS 207-201-4NSC-883132-fluoro-5-methylbromobenzeneDTXSID301964201-bromo-2-fluoro-5-methylbenzene5-METHYL-2-FLUOROBROMOBENZENENSC 88313

Show more names

3-Bromo-4-fluorotolu3-Bromo-4-fluotoluene3-Bromo-4-flurotoluene3-Bromo-4-fluorotoluene,99%3-broMo -4-fluorine toluene3-Bromo-4-fluorotoluene >3-Bromo-4-fluorotoluene 99%

TOLUENE, 3-BROMO-4-FLUORO-2-FLUORO-5-METHYL-1-BROMOBENZENERefChem:498653DTXCID40118911207-201-42-bromo-1-fluoro-4-methyl-benzeneMFCD000408274-fluoro-3-bromotoluene

Database identifiers

CAS: 452-62-0
PubChem CID: 96745
DTXSID: DTXSID30196420
UNII: SNF4C42NWZ
EC Number: 207-201-4
Nikkaji: J196.149G

Properties

Computed structural properties

XLogP: 3.1
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: 169 °C/756 · 169 °C/756 mmHg (lit.)
Density: 1.507 g/mL · 1.507 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.531(lit.)
Flash point: 164 °F · 164 °F
storage temp.: Sealed in dry,Room Temperature
form: Liquid
Specific Gravity: 1.52 · 1.52
color: Clear colorless to light yellow
BRN: 1680604 · 1680604
InChI: InChI=1S/C7H6BrF/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChIKey: QLRKALMVPCQTMU-UHFFFAOYSA-N
SMILES: C1(F)=CC=C(C)C=C1Br
CAS DataBase Reference: 452 · 452-62-0(CAS DataBase Reference)
FDA UNII: 4 C42NWZ · SNF4C42NWZ
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29039990 · 29039990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29039990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses3-Bromo-4-fluorotoluene was employed as starting reagent in the synthesis of [4-fluoro-3-(trimethylsilyl)benzyl]guanidine. It was also employed as benzyne precursor in the synthesis of 6-methyl-1,2,3,4-tetrahydro-2,3-(benzylidenedioxy)-1,4-ethenonapthalene.