4-Bromo-3-fluorotoluene

HCID 573280CAS 452-74-4
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(Br)c(F)c1
InChIKey
SLFNGVGRINFJLK-UHFFFAOYSA-N
Molecular formula
C7H6BrF
Average molar mass
189.02 g/mol
Monoisotopic mass
187.96369051

Names & identifiers

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

Names & synonyms

4-Bromo-3-fluorotoluene452-74-4DTXSID60341466RefChem:519960DTXCID80292547629-423-41-Bromo-2-fluoro-4-methylbenzene3-fluoro-4-bromotolueneBenzene, 1-bromo-2-fluoro-4-methyl-1-BROMO-2-FLUORO-4-METHYL-BENZENEMFCD000409403-fluoro-4-bromo-toluene
Show more names
4-Bromo-3-fL4-Bromo-3-flurotoluene3-FLUORO-4-BROMO-TOLUONE4-Bromo-3-fluorotoluene >4-Bromo-3-fluorotoluene 98%4-Bromo-3-fluorotoluene,98+%4-BroMo-3-fluorotoluene, 98% 5GR
4-bromo3-fluorotolueneTrelagliptin Impurity 95SCHEMBL157146SCHEMBL4044340SCHEMBL9795831SCHEMBL9795840SCHEMBL20490056SCHEMBL29570973

Database identifiers

CAS
452-74-4
PubChem CID
573280
DTXSID
DTXSID60341466
EC Number
629-423-4
Nikkaji
J1.355.812D

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
9

Physicochemical properties

Boiling point
95 °C/50 · 95 °C/50 mmHg (lit.)
Density
1.494 g/mL · 1.494 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.53(lit.)
Flash point
95 °F · 95 °F
storage temp.
Sealed in dry,Room Temperature
form
Liquid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (89.4%): 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (89.4%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
ridadr
UN 1993 3/PG 3
hs_code
29039990
risk_code
10-36/37/38
Signal word
Warning

Chemistry & industry

Applications · 3 items

Uses4-Bromo-3-fluorotoluene may be used in the preparation of 1-(4-cyano-3- fluorobenzyl)-5-imidazolecarboxaldehyde and 1-bromo-4-bromomethyl-2-fluorobenzene.

Uses4-Bromo-3-fluorotoluene is used in the synthesis of S-trityl-L-cysteine based inhibitors that show potent antitumor activity in lung cancer models. Chemical reagent for organic synthesis.

General Description4-Bromo-3-fluorotoluene (1-bromo-2-fluoro-4-methylbenzene) is an aryl fluorinated building block. Synthesis of 4-bromo-3-fluorotoluene from o-nitro-p-toluidine (Fast Red Base GL), via diazo reaction at high temperature, Sandmeyer reaction, reduction and Schiemann reaction has been reported. Its density and refractive index have been determined.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
湖北鑫立恒化工有限公司13164644252
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

Related reactions

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Linked notes

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