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CAS No.: | 556-96-7 |
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Name: | 5-Bromo-m-xylene |
Article Data: | 30 |
Molecular Structure: | |
Formula: | C8H9Br |
Molecular Weight: | 185.063 |
Synonyms: | m-Xylene,5-bromo- (6CI,7CI,8CI);1-Bromo-3,5-dimethylbenzene;1-Bromo-3,5-xylene;3,5-Dimethyl-1-bromobenzene;3,5-Dimethylbromobenzene;3,5-Dimethylphenylbromide;5-Bromo-1,3-xylene; |
EINECS: | 629-686-5 |
Density: | 1.339 g/cm3 |
Melting Point: | -20.49°C (estimate) |
Boiling Point: | 206.9 °C at 760 mmHg |
Flash Point: | 87.2 °C |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39-37/39 |
PSA: | 0.00000 |
LogP: | 3.06590 |
Conditions | Yield |
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With trimethylsilyl bromide; N-benzyl-N,N,N-triethylammonium chloride; sodium nitrite In tetrachloromethane 1.) 0 deg C, 1.5 h, 2.) r.t., 12 h; | 89% |
With hydrogen bromide Diazotization.Behandlung der Diazoniumsalz-Loesung mit CuBr oder mit Kupfer-Pulver; | |
(i) (diazotization), aq. HBr, (ii) Cu; Multistep reaction; |
Conditions | Yield |
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With copper(ll) bromide; aluminum oxide In tetrachloromethane at 80℃; for 2h; | 85% |
With copper(ll) bromide; aluminum oxide In tetrachloromethane at 80℃; for 2h; Product distribution; | 85% |
3,5-dimethylphenyl boronic acid
5-bromo-1,3-xylene
Conditions | Yield |
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With 1,10-Phenanthroline; oxygen; potassium bromide; copper(ll) bromide In N,N-dimethyl-formamide at 130℃; for 20h; | 71% |
4-bromo-2,6-dimethylphenylamine
5-bromo-1,3-xylene
Conditions | Yield |
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Stage #1: 4-bromo-2,6-dimethylphenylamine With sulfuric acid In ethanol at -10 - 20℃; for 1h; Stage #2: With sodium nitrite In ethanol; water for 1.5h; Stage #3: With copper In ethanol; water at 20℃; | 51% |
Stage #1: 4-bromo-2,6-dimethylphenylamine With sulfuric acid In ethanol at 7 - 20℃; for 1h; Stage #2: With sodium nitrite In ethanol; water at 20℃; for 1.5h; Cooling; Stage #3: With copper In ethanol; water at 20℃; Inert atmosphere; | 51% |
Stage #1: 4-bromo-2,6-dimethylphenylamine With sulfuric acid In ethanol at -10 - 20℃; Stage #2: With sodium nitrite In ethanol; water for 1.5h; Cooling with ice; Stage #3: With copper In ethanol; water at 20℃; | 63.5 g |
5-bromo-1,3-xylene
Conditions | Yield |
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With hydrogen bromide; copper(I) bromide | 37% |
2-bromo-4,6-dimethylaniline
5-bromo-1,3-xylene
Conditions | Yield |
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With hydrogenchloride Diazotization.Behandlung der Diazoniumsalz-Loesung mit wss.-alkal. Stannit-Loesung; |
Conditions | Yield |
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With hydrogenchloride; hydrogen bromide; bromine Behandeln des Reaktionsgemisches mit Natriumnitrit und anschliessend Behandeln mit Zinn(II)-chlorid und wss. Natronlauge; | |
Multi-step reaction with 2 steps 1: hydrochloric acid; bromine / ueber mehrere Stufen View Scheme |
Conditions | Yield |
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With hydrogen fluoride; antimony pentafluoride |
Conditions | Yield |
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TfOH2+B(OTf)4- In toluene for 18h; Product distribution; Ambient temperature; | A 3.5 % Chromat. B 69.1 % Chromat. |
Molecule structure of 3,5-Dimethylbromobenzene (CAS NO.556-96-7) :
IUPAC Name: 1-bromo-3,5-dimethylbenzene
Molecular Weight: 185.06106 g/mol
Molecular Formula: C8H9Br
Density: 1.339 g/cm3
Boiling Point: 206.9 °C at 760 mmHg
Flash Point: 87.2 °C
Appreance: white to light yellow crystal powder
Index of Refraction: 1.543
Molar Refractivity: 43.59 cm3
Molar Volume: 138.1 cm3
Polarizability: 17.28*10-24 cm3
Surface Tension: 33.7 dyne/cm
Enthalpy of Vaporization: 42.5 kJ/mol
Vapour Pressure: 0.333 mmHg at 25 °C
log P (octanol-water): 3.980
Atmospheric OH Rate Constant 8.64E-12 cm3/molecule-sec
XLogP3: 3.4
Exact Mass: 183.988763
MonoIsotopic Mass: 183.988763
Heavy Atom Count: 9
Complexity: 80.6
Canonical SMILES: CC1=CC(=CC(=C1)Br)C
InChI: InChI=1S/C8H9Br/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3
InChIKey: LMFRTSBQRLSJHC-UHFFFAOYSA-N
Product Categories of 3,5-Dimethylbromobenzene (CAS NO.556-96-7) : Aromatic Hydrocarbons (substituted) & Derivatives; Halogen toluene; Benzene derivates; Miscellaneous; Bromine Compounds
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36/37/39-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
S37/39: Wear suitable gloves and eye/face protection
WGK Germany: 3
Hazard Note: Irritant
HS Code: 29036990
3,5-Dimethylbromobenzene (CAS NO.556-96-7) is also called 5-Bromo-1,3-xylene ; m-Xylene, 5-bromo- ; 5-Bromo-m-xylene ; 5-Bromometaxylene ; 5-Bromo-3,5-dimethylbenzene ; 1-Bromo-3,5-dimethylbenzene .