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2-Bromo-1-(bromomethyl)-3-fluorobenzene

HCID 44181799
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
1184918-22-6
Standard SMILES
Fc1cccc(CBr)c1Br
InChIKey
ZJSRIMJDFLFPJI-UHFFFAOYSA-N
Molecular formula
C7H5Br2F
Average molar mass
267.92 g/mol
Monoisotopic mass
265.8742

Names & identifiers

Preferred name
2-Bromo-1-(bromomethyl)-3-fluorobenzene
IUPAC
2-bromo-1-(bromomethyl)-3-fluorobenzene
English name
2-Bromo-1-(bromomethyl)-3-fluorobenzene
Molecular formula
C7H5Br2F
Molecular weight
267.92

Names & synonyms

2-Bromo-1-(bromomethyl)-3-fluorobenzene1184918-22-6DTXSID70657707RefChem:256867DTXCID706084562-Bromo-3-fluorobenzyl bromideMFCD12911576SCHEMBL286672(2-bromo-1-(bromomethyl)-3-fluorobenzeneAKOS015889426DS-142642-bromo-1-(bromomethyl)-3-fluoro-benzene
Show more names
2-Bromo-1-(bromomethyl)2-Bromo-3-fluorobenzylbromide97%2-Bromo-3-fluorobenzyl bromide 97%Benzene, 2-bromo-1-(bromomethyl)-3-fluoro-2-Bromo-1-(bromomethyl)-3-fluorobenzene, alpha,2-Dibromo-3-fluorotoluene
EN300-1133202-Bromo-3-fluorobenzylbromide2-bromo-3-(bromomethyl)-1-fluorobenzeneAM62187SCHEMBL29760840ZJSRIMJDFLFPJI-UHFFFAOYSA-NJXB91822SBB070911

Database identifiers

CAS
1184918-22-6
PubChem CID
44181799
DTXSID
DTXSID70657707

Properties

Computed structural propertiesFilling in

XLogP
3.3
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
10
Formal charge
0
Complexity
108

Physicochemical properties

Boiling point
246.8 · 246.8±25.0 °C(Predicted)
Density
1.923 · 1.923±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
form
Solid
color
Off-white
Water Solubility
Slightly soluble in water.
CAS DataBase Reference
1184918 · 1184918-22-6
Symbol(GHS)
5 · GHS05
Signal word
Warning
Hazard statements
314 · H314-H318
Precautionary statements
260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
RIDADR
3261 · UN3261
HazardClass
8 · 8
HS Code
2916399090 · 2916399090
Limited Quantities
5 kg · 5.0 kg (11 lbs) (solid)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

ridadr
UN3261
hs_code
2916399090
Signal word
Warning
Symbol(GHS)
GHS05
hazard_class
8
Hazard statements
H314-H318
Limited Quantities
5.0 kg (11 lbs) (solid)
Excepted Quantities
Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements
P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

UsesIt is employed as a intermediate for pharmaceutical.

Related reactions

2 records
New reaction record
HRID 1187034 reaction equation
HRID 1187034As reactantuspto-grants-2014_03
HRID 1474292 reaction equation
HRID 1474292As reactantuspto-grants-2015_04

Compound notes

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Excepted Quantities
Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)