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3-Methoxybenzyl chloride

3-Methoxybenzyl chloride structure

CAS No:
824-98-6
Formula:
C8H9ClO
Chemical Name:
3-Methoxybenzyl chloride
Synonyms:
Benzene,1-(chloromethyl)-3-methoxy-;Anisole,m-(chloromethyl)-;1-(Chloromethyl)-3-methoxybenzene;α-Chloro-m-methoxytoluene;m-(Chloromethyl)anisole;3-Methoxybenzyl chloride;m-Methoxybenzyl chloride;(3-Methoxyphenyl)methyl chloride;3-(Chloromethyl)anisole;NSC 268684;3-(Chloromethyl)phenyl methyl ether;5-Methoxybenzyl chloride
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear colorless to light yellow liquid

3-Methoxybenzyl chloride Basic Attributes

Molecular Weight：

156.61

Exact Mass：

156.61

EC Number：

212-541-1

NSC Number：

268684

DSSTox ID：

DTXSID80231719

HScode：

2909309090

Characteristics

PSA：

9.2

XLogP3：

2.4

Appearance：

clear colorless to light yellow liquid

Density：

1.1±0.1 g/cm3

Melting Point：

37-41 °C

Boiling Point：

124 °C @ Press: 13 Torr

Flash Point：

101.7±0.0 °C

Refractive Index：

1.517

Storage Conditions：

Store at 0-5ºC

Safety Information

Packing level：

Ⅱ

Hazard category：

Transport codes：

3265

wgk germany：

hazard class code：

safety instructions：

S26-S36/37/39-S45

Marks：

C:Corrosive;

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 47 companies from 3 notifications to the ECHA C&L Inventory.

3-Methoxybenzyl chloride Use and Manufacturing

3-methoxybenzyl alcohol (248 μ, 2.0 mmol) and triethylamine (335 μ, 2.4 mmol) were dissolved in anh. DCM (7 mL). Thionyl chloride (218 μ, 3.0 mmol) was added slowly. The reaction mixture was stirred at RT. for 1 h. The reaction mixture was washed with an aqueous solution of HCI 1 N. The organic phase was dried over MgS0100 g of m-methoxybenzyl alcohol was added to 160 ml of thionyl chloride, The mixture was heated to reflux reaction lh. After the reaction, the excess amount of thionyl chloride was recovered under reduced pressure to obtain 104 g of m-methoxybenzyl chloride oil. The purity of GC was 98percent or more.General procedure: KOH (2.4mmol), H

Computed Properties

Molecular Weight:156.61
XLogP3:2.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:156.0341926
Monoisotopic Mass:156.0341926
Topological Polar Surface Area:9.2
Heavy Atom Count:10
Complexity:95.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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