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Benzoic acid, 3-(chloromethyl)-, ethyl ester

Benzoic acid, 3-(chloromethyl)-, ethyl ester structure

CAS No:
54589-54-7
Formula:
C10H11ClO2
Chemical Name:
Benzoic acid, 3-(chloromethyl)-, ethyl ester
Synonyms:
Benzoic acid,3-(chloromethyl)-,ethyl ester;Ethyl m-(chloromethyl)benzoate;Ethyl 3-chloromethylbenzoate

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Benzoic acid, 3-(chloromethyl)-, ethyl ester Basic Attributes

Molecular Weight：

198.65

Exact Mass：

198.65

DSSTox ID：

DTXSID30564302

HScode：

2916399090

Characteristics

PSA：

26.30000

XLogP3：

2.60210

Appearance：

powder

Density：

1.17

Boiling Point：

168-169 °C @ Press: 25 Torr

Flash Point：

143ºC

Refractive Index：

1.5280 to 1.5320

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3265 8/PG III

Marks：

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 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:198.64
XLogP3:2.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:198.0447573
Monoisotopic Mass:198.0447573
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Benzoic acid, 3-(chloromethyl)-, ethyl ester

Basic Attributes
Characteristics
Safety Information
Computed Properties
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