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108-37-2 molecular structure
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1-bromo-3-chlorobenzene

ChemBase ID: 77353
Molecular Formular: C6H4BrCl
Molecular Mass: 191.45296
Monoisotopic Mass: 189.91848981
SMILES and InChIs

SMILES:
Brc1cc(ccc1)Cl
Canonical SMILES:
Clc1cccc(c1)Br
InChI:
InChI=1S/C6H4BrCl/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKey:
JRGGUPZKKTVKOV-UHFFFAOYSA-N

Cite this record

CBID:77353 http://www.chembase.cn/molecule-77353.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-bromo-3-chlorobenzene
IUPAC Traditional name
M-bromochlorobenzene
Synonyms
1-Bromo-3-chlorobenzene
3-Chlorobromobenzene
1-Bromo-3-chlorobenzene
m-BROMOCHLOROBENZENE
1-Bromo-3-chlorobenzene
3-Bromochlorobenzene
1-溴-3-氯苯
CAS Number
108-37-2
EC Number
203-575-8
MDL Number
MFCD00000568
Beilstein Number
1446353
PubChem SID
162042226
24847592
PubChem CID
7928

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.346043  LogD (pH = 7.4) 3.346043 
Log P 3.346043  Molar Refractivity 38.4856 cm3
Polarizability 15.063697 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
-22°C expand Show data source
-22°C expand Show data source
Boiling Point
195-196°C expand Show data source
195-197°C expand Show data source
196 °C(lit.) expand Show data source
Flash Point
176 °F expand Show data source
80 °C expand Show data source
80°C expand Show data source
80°C(176°F) expand Show data source
Density
1.63 expand Show data source
1.63 g/mL at 25 °C(lit.) expand Show data source
1.630 expand Show data source
Refractive Index
1.577 expand Show data source
1.5770 expand Show data source
n20/D 1.576 expand Show data source
n20/D 1.576(lit.) expand Show data source
Storage Warning
Irritant/Light Sensitive expand Show data source
RTECS
CY9005000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
23-26-37-60 expand Show data source
26-36 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
H315-H319-H335-H227 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P280G-P305+P351+P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
≥95.0% (GC) expand Show data source
98% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
BrC6H4Cl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05209276 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 124036 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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