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76283-09-5 molecular structure
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4-bromo-1-(bromomethyl)-2-fluorobenzene

ChemBase ID: 6881
Molecular Formular: C7H5Br2F
Molecular Mass: 267.9210032
Monoisotopic Mass: 265.87420238
SMILES and InChIs

SMILES:
c1cc(cc(c1CBr)F)Br
Canonical SMILES:
BrCc1ccc(cc1F)Br
InChI:
InChI=1S/C7H5Br2F/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2
InChIKey:
XMHNLZXYPAULDF-UHFFFAOYSA-N

Cite this record

CBID:6881 http://www.chembase.cn/molecule-6881.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromo-1-(bromomethyl)-2-fluorobenzene
IUPAC Traditional name
4-bromo-1-(bromomethyl)-2-fluorobenzene
Synonyms
4-Bromo-2-fluorobenzyl bromide
4,α-Dibromo-2-fluorotoluene
4-Bromo-2-fluorobenzyl bromide
4-Bromo-1-(bromomethyl)-2-fluorobenzene
4-Bromo-1-(bromomethyl)-2-fluorobenzene
alpha,4-Dibromo-2-fluorotoluene
4-Bromo-2-fluorobenzyl bromide 97%
4-溴-2-氟溴苄
4-溴-2-氟苄溴
4-溴-2-氟苯甲基溴
CAS Number
76283-09-5
EC Number
278-412-7
MDL Number
MFCD00055467
Beilstein Number
4307676
PubChem SID
24871387
160970188
PubChem CID
2733660

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.6574378  LogD (pH = 7.4) 3.6574378 
Log P 3.6574378  Molar Refractivity 46.7476 cm3
Polarizability 17.789398 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
30°C expand Show data source
33-36 °C(lit.) expand Show data source
33-37°C expand Show data source
Boiling Point
126°C/19mm expand Show data source
126°C/9mm expand Show data source
Storage Warning
Corrosive/Toxic/Lachrymatory/Light Sensitive expand Show data source
LACHRYMATOR, CORROSIVE expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2923 expand Show data source
UN3261 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
II expand Show data source
Risk Statements
22-34-52/53 expand Show data source
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
26-36/37/39-45-61 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H314 expand Show data source
H314-H318 expand Show data source
GHS Precautionary statements
P280-P301 + P310-P305 + P351 + P338-P310 expand Show data source
P280-P305+P351+P338-P309-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2923 8/PG 3 expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Linear Formula
BrC6H3(F)CH2Br expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 477559 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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