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3,4,5-Trimethoxybenzyl chloride

3,4,5-Trimethoxybenzyl chloride structure

CAS No:
3840-30-0
Formula:
C10H13ClO3
Chemical Name:
3,4,5-Trimethoxybenzyl chloride
Synonyms:
Benzene,5-(chloromethyl)-1,2,3-trimethoxy-;Toluene,α-chloro-3,4,5-trimethoxy-;5-(Chloromethyl)-1,2,3-trimethoxybenzene;3,4,5-Trimethoxybenzyl chloride;NSC 100940;1-(Chloromethyl)-3,4,5-trimethoxybenzene
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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3,4,5-Trimethoxybenzyl chloride Basic Attributes

Molecular Weight：

216.661

Exact Mass：

216.66

EC Number：

223-330-9

NSC Number：

100940

DSSTox ID：

DTXSID60191741

HScode：

2909309090

Characteristics

PSA：

27.7

XLogP3：

1.93

Density：

1.1±0.1 g/cm3

Melting Point：

60-62 °C @ Solvent: Benzene

Boiling Point：

110 °C @ Press: 0.1 Torr

Flash Point：

110.6±26.0 °C

Refractive Index：

1.505

Water Solubility：

methanol: 0.1 g/mL, clear

Safety Information

Transport codes：

UN 3261

wgk germany：

hazard class code：

R34;R37

safety instructions：

S26-S36/37/39-S45

Marks：

C: Corrosive;

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 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:216.66
XLogP3:1.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:216.0553220
Monoisotopic Mass:216.0553220
Topological Polar Surface Area:27.7
Heavy Atom Count:14
Complexity:151
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,4,5-Trimethoxybenzyl chloride

Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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3,4,5-Trimethoxybenzyl chloride

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