CAS No.556-96-7,5-Bromo-m-xylene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	556-96-7
Name:	5-Bromo-m-xylene
Article Data:	30

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

Synthetic route

: 108-69-0
3,5-dimethylaminoaniline

: 556-96-7
5-bromo-1,3-xylene

Conditions

Conditions	Yield
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;

: 108-38-3
m-xylene

: 556-96-7
5-bromo-1,3-xylene

Conditions

Conditions	Yield
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%

: 172975-69-8
3,5-dimethylphenyl boronic acid

: 556-96-7
5-bromo-1,3-xylene

Conditions

Conditions	Yield
With 1,10-Phenanthroline; oxygen; potassium bromide; copper(ll) bromide In N,N-dimethyl-formamide at 130℃; for 20h;	71%

: 24596-19-8
4-bromo-2,6-dimethylphenylamine

: 556-96-7
5-bromo-1,3-xylene

Conditions

Conditions	Yield
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

: <(3,5-Dimethylphenyl)azo>pyrrolidine

: 556-96-7
5-bromo-1,3-xylene

Conditions

Conditions	Yield
With hydrogen bromide; copper(I) bromide	37%

: 41825-73-4
2-bromo-4,6-dimethylaniline

: 556-96-7
5-bromo-1,3-xylene

Conditions

Conditions	Yield
With hydrogenchloride Diazotization.Behandlung der Diazoniumsalz-Loesung mit wss.-alkal. Stannit-Loesung;

: 95-68-1
2,4-Xylidine

: 556-96-7
5-bromo-1,3-xylene

Conditions

Conditions	Yield
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

: 583-70-0
1-bromo-2,4-dimethylbenzene

: 556-96-7
5-bromo-1,3-xylene

Conditions

Conditions	Yield
With hydrogen fluoride; antimony pentafluoride

: 576-22-7
2-Bromo-m-xylene

A: 556-96-7
5-bromo-1,3-xylene

B: 583-70-0
1-bromo-2,4-dimethylbenzene

Conditions

Conditions	Yield
TfOH2+B(OTf)4- In toluene for 18h; Product distribution; Ambient temperature;	A 3.5 % Chromat. B 69.1 % Chromat.

: 576-22-7
2-Bromo-m-xylene

A: 556-96-7
5-bromo-1,3-xylene

B: 583-70-0
1-bromo-2,4-dimethylbenzene

C: 108-38-3
m-xylene

Conditions

Conditions	Yield
With hydrogen; oxygen at 40℃; under 760 Torr; Product distribution; Mechanism; Irradiation; effect of further reagents;

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Chemistry

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

Safety Profile

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

Specification

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 .