CAS No.589-17-3,4-Bromobenzyl chloride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	589-17-3
Name:	4-Bromobenzyl chloride
Article Data:	37

Formula:	C₇H₆BrCl
Molecular Weight:	205.482
Synonyms:	Toluene,p-bromo-a-chloro- (6CI,7CI,8CI);1-Bromo-4-(chloromethyl)benzene;4-Bromobenzyl chloride;p-Bromo-a-chlorotoluene;p-Bromobenzylchloride;a-Chloro-4-bromotoluene;
EINECS:	209-638-6
Density:	1.541 g/cm³
Melting Point:	36-40 °C
Boiling Point:	236 °C at 760 mmHg
Flash Point:	111.7 °C
Solubility:	insoluble in water
Appearance:	light yellow crystal powder to light yellow liqui
Hazard Symbols:	C
Risk Codes:	36/37-34
Safety:	45-36/37/39-25
Transport Information:	UN3261
PSA:	0.00000
LogP:	3.18790

Synthetic route

: 873-75-6
4-bromobenzenemethanol

: 589-17-3
p-bromobenzyl chloride

Conditions

Conditions	Yield
With oxalyl dichloride In dichloromethane at 20℃; Appel Halogenation; Reflux;	98%
With thionyl chloride In dichloromethane at 0 - 20℃;	95%
With thionyl chloride Inert atmosphere;	95%

: 24856-58-4
1,1-dimethoxy-1-(4-bromophenyl)methane

: 589-17-3
p-bromobenzyl chloride

Conditions

Conditions	Yield
With triethylsilane; acetyl chloride; tin(ll) chloride In dichloromethane for 5h; Ambient temperature;	92%

: 589-15-1
1-bromomethyl-4-bromobenzene

: 589-17-3
p-bromobenzyl chloride

Conditions

Conditions	Yield
With 18-crown-6 ether; potassium chloride for 1h; High speed ball milling; Neat (no solvent); neat (no solvent, solid phase);	90%
Multi-step reaction with 2 steps 1: natrium carbonate 2: fuming hydrochloric acid / 150 °C View Scheme

: 106-38-7
para-bromotoluene

A: 586-76-5
4-Bromobenzoic acid

B: 589-17-3
p-bromobenzyl chloride

Conditions

Conditions	Yield
With sodium hypochlorite; bis(2,2'-bipyridine)dichloronickel(II) In acetonitrile for 0.666667h; Ambient temperature; Yields of byproduct given;	A 85% B n/a

: 106-38-7
para-bromotoluene

: 589-17-3
p-bromobenzyl chloride

Conditions

Conditions	Yield
With N-chloro-succinimide; tetrachlorosilane In acetonitrile at 60 - 70℃; for 8h;	75%
With N-chloro-succinimide; N-hydroxyphthalimide; 2,3-dicyano-5,6-dichloro-p-benzoquinone In acetonitrile at 80℃; for 16h; Time; Sealed tube; Inert atmosphere;	38%
durch Chlorierung;

: 50-00-0
formaldehyd

: 108-86-1
bromobenzene

A: 578-51-8
2-bromobenzylchloride

B: 589-17-3
p-bromobenzyl chloride

Conditions

Conditions	Yield
With hydrogenchloride; tin(IV) chloride die Trennung der Isomeren erfolgt durch Abkuehlen auf -15grad;

...Expand

: 108-86-1
bromobenzene

: 542-88-1
bis(2-chloromethyl)ether

: 5435-44-9, 22243-66-9
(E)-3-Ureido-but-2-enoic acid ethyl ester

A: 1941-86-2
bis(4-bromophenyl)methane

B: 589-17-3
p-bromobenzyl chloride

...Expand

: 108-86-1
bromobenzene

: 542-88-1
bis(2-chloromethyl)ether

: 589-17-3
p-bromobenzyl chloride

: 108-86-1
bromobenzene

: 542-88-1
bis(2-chloromethyl)ether

A: 1941-86-2
bis(4-bromophenyl)methane

B: 589-17-3
p-bromobenzyl chloride

Conditions

Conditions	Yield
With zinc(II) chloride
With zinc(II) chloride

...Expand

: N,N-bis-(4-bromo-benzyl)-benzamide

A: 100-47-0
benzonitrile

B: 589-17-3
p-bromobenzyl chloride

Conditions

Conditions	Yield
With phosphorus pentachloride folgend Destillieren;

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Specification

The Benzene,1-bromo-4-(chloromethyl)-, with CAS registry number 589-17-3, has the systematic name of 1-bromo-4-(chloromethyl)benzene. This chemical is a kind of light yellow crystal powder to light yellow liquid. And it should be stored in cool, dry place in tightly closed containers. What's more, its EINECS is 209-638-6.

Physical properties of Benzene,1-bromo-4-(chloromethyl)-: (1)ACD/LogP: 3.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.26; (4)ACD/LogD (pH 7.4): 3.26; (5)ACD/BCF (pH 5.5): 176.42; (6)ACD/BCF (pH 7.4): 176.42; (7)ACD/KOC (pH 5.5): 1411.51; (8)ACD/KOC (pH 7.4): 1411.51; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 43.7 cm³; (15)Molar Volume: 133.3 cm³; (16)Polarizability: 17.32×10^-24cm³; (17)Surface Tension: 38.9 dyne/cm; (18)Enthalpy of Vaporization: 45.36 kJ/mol; (19)Vapour Pressure: 0.0744 mmHg at 25°C.

Preparation: this chemical can be prepared by p-bromobenzaldehyde dimethyl acetal. This reaction will need reagents triethylsilane, AcCl and solvent CH₂Cl₂. The reaction time is 5 hour(s). The yield is about 92%.

Uses of Benzene,1-bromo-4-(chloromethyl)-: it can be used to produce (4-bromo-benzyl)-phenyl ether. This reaction will need reagents sodium, methylate, methanol.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1-bromo-4-(chloromethyl)- irritates to eyes, respiratory system and skin. And this chemical may cause burns. When use it, avoid contact with eyes and wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1ccc(Br)cc1
(2)InChI: InChI=1/C7H6BrCl/c8-7-3-1-6(5-9)2-4-7/h1-4H,5H2
(3)InChIKey: BSIIGUGKOPPTPZ-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C7H6BrCl/c8-7-3-1-6(5-9)2-4-7/h1-4H,5H2
(5)Std. InChIKey: BSIIGUGKOPPTPZ-UHFFFAOYSA-N