CAS No.116412-83-0,4-Chloro-3,4'-DimethoxyBenzophenone Suppliers

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Basic Information

CAS No.:

116412-83-0

Name:

4-Chloro-3,4'-DimethoxyBenzophenone

Article Data:

Molecular Structure:

Formula:

C15H13 Cl O3

Molecular Weight:

276.719

Synonyms:

3,4-Dimethoxy-4'-chloro-benzophenone

Density:

1.216g/cm³

Melting Point:

111-112 °C(Solv: ethanol (64-17-5))

Boiling Point:

414.5°Cat760mmHg

Flash Point:

167.2°C

Hazard Symbols:

Risk Codes:

50/53

Safety:

Hazard Codes	N
Risk Statements	50/53
Safety Statements	60-61

PSA:

35.53000

LogP:

3.58820

Synthetic route

: 91-16-7
1,2-dimethoxybenzene

: 122-01-0
4-chloro-benzoyl chloride

A FeCl3: FeCl3

B: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

Conditions

Conditions	Yield
	A n/a B 93%

...Expand

: 91-16-7
1,2-dimethoxybenzene

: 74-11-3
para-chlorobenzoic acid

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate at 80 - 90℃; for 0.05h; Microwave irradiation; chemoselective reaction;	89%

: 120-14-9
3,4-dimethoxy-benzaldehyde

: 873-77-8
(4-chlorphenyl)magnesium bromide

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

Conditions

Conditions	Yield
Stage #1: 3,4-dimethoxy-benzaldehyde; (4-chlorphenyl)magnesium bromide In tetrahydrofuran Stage #2: With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; [bis(acetoxy)iodo]benzene In dichloromethane	86%

: 91-16-7
1,2-dimethoxybenzene

: 122-01-0
4-chloro-benzoyl chloride

: 79-34-5
1,1,2,2-tetrachloroethane

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

Conditions

Conditions	Yield
With FeCl3; graphite	84.3%
With FeCl3; graphite	84.3%
graphite	81.3%

...Expand

: 91-16-7
1,2-dimethoxybenzene

: 5216-25-1
4-chlorotrichloromethylbenzene

: 79-34-5
1,1,2,2-tetrachloroethane

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

Conditions

Conditions	Yield
graphite In water	79.5%

...Expand

: 91-16-7
1,2-dimethoxybenzene

: 122-01-0
4-chloro-benzoyl chloride

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

Conditions

Conditions	Yield
With Cl4Fe(1-)C9H7N3O2H(1+) In neat (no solvent) at 100℃; for 3h; Friedel-Crafts Acylation; Inert atmosphere;	70%
With aluminium trichloride In dichloromethane for 0.5h; Friedel-Crafts reaction;	53%
With aluminium trichloride In benzene at 55 - 60℃; for 2.5h; Friedel-Crafts reaction;

: 74-11-3
para-chlorobenzoic acid

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 2 h / 20 °C / Reflux 2: aluminum (III) chloride / dichloromethane / 2 h / 0 °C / Reflux View Scheme

: 120-80-9
benzene-1,2-diol

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium hydroxide / water / 1.33 h / 10 - 15 °C / Inert atmosphere; Large scale 1.2: 4.7 h / 20 - 50 °C / Inert atmosphere; Large scale 2.1: iron(III) chloride / hexane / 2.8 h / 120 °C / Inert atmosphere; Large scale View Scheme

: 91-16-7
1,2-dimethoxybenzene

: 99-91-2
para-chloroacetophenone

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

Conditions

Conditions	Yield
With iron(III) chloride In hexane at 120℃; for 2.8h; Temperature; Inert atmosphere; Large scale;

: 1779-49-3
Methyltriphenylphosphonium bromide

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

: C16H15ClO2

Conditions

Conditions	Yield
With sodium hydride	89%

Raw Materials

79-34-5

91-16-7

122-01-0

5216-25-1

Downstream Products

134612-84-3

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- China (Mainland)(25)
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Chemistry

Molecular structure of 4-Chloro-3',4'-dimethoxybenzophenone (CAS NO.116412-83-0) is:

Product Name: 4-Chloro-3',4'-dimethoxybenzophenone
CAS Registry Number: 116412-83-0
Molecular Formula: C₁₅H₁₃ClO₃
Molecular Weight: 276.71
Index of Refraction: 1.566
Molar Refractivity: 74.29 cm³
Molar Volume: 227.5 cm³
Surface Tension: 41.1 dyne/cm
Density: 1.216 g/cm³
Flash Point: 167.2 °C
Enthalpy of Vaporization: 66.74 kJ/mol
Boiling Point: 414.5 °C at 760 mmHg
Vapour Pressure: 4.44E-07 mmHg at 25 °C
EINECS: 404-610-1
Product Categories: Naphthyridine,Quinoline
SMILES: O=C(c1ccc(Cl)cc1)c2ccc(OC)c(OC)c2
InChI: InChI=1/C15H13ClO3/c1-18-13-8-5-11(9-14(13)19-2)15(17)10-3-6-12(16)7-4-10/h3-9H,1-2H3
InChIKey: MLLIIHAKTPXMFF-UHFFFAOYAN
Std. InChI: InChI=1S/C15H13ClO3/c1-18-13-8-5-11(9-14(13)19-2)15(17)10-3-6-12(16)7-4-10/h3-9H,1-2H3
Std. InChIKey: MLLIIHAKTPXMFF-UHFFFAOYSA-N

Safety Profile

Safty information about 4-Chloro-3',4'-dimethoxybenzophenone (CAS NO.116412-83-0) is:
Hazard Codes: Dangerous N
Risk Statements: 50/53
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 60-61
S60:This material and its container must be disposed of as hazardous waste.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.

Specification

4-Chloro-3',4'-dimethoxybenzophenone , its cas register number is 116412-83-0. It also can be called Methanone,(4-chlorophenyl)(3,4-dimethoxyphenyl)- .