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DIETHYL 5-(HYDROXYMETHYL)ISOPHTHALATE

DIETHYL 5-(HYDROXYMETHYL)ISOPHTHALATE structure

CAS No:
181425-91-2
Formula:
HOCH2C6H3-1,3-(CO2C2H5)2
Chemical Name:
DIETHYL 5-(HYDROXYMETHYL)ISOPHTHALATE
Synonyms:
Diethyl 5-(hydroxymethyl)isophthalate;diethyl 5-(hydroxymethyl)benzene-1,3-dicarboxylate;1,3-Benzenedicarboxylic acid, 5-(hydroxymethyl)-, diethyl ester;Maybridge3_000660;ACMC-20al94;MLS000851177;SCHEMBL341606;CHEMBL467882;CTK4D7869;DTXSID70346169

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DIETHYL 5-(HYDROXYMETHYL)ISOPHTHALATE Basic Attributes

Molecular Weight：

252.26

Exact Mass：

252.10000

DSSTox ID：

DTXSID70346169

Characteristics

PSA：

72.8

XLogP3：

1.53230

Density：

1.189±0.06 g/cm3(Predicted)

Melting Point：

82-85 °C(lit.)

Boiling Point：

398.6±37.0 °C(Predicted)

Flash Point：

148.7ºC

Refractive Index：

1.53

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

23-26

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:252.26
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:252.09977361
Monoisotopic Mass:252.09977361
Topological Polar Surface Area:72.8
Heavy Atom Count:18
Complexity:263
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of DIETHYL 5-(HYDROXYMETHYL)ISOPHTHALATE

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

DIETHYL 5-(HYDROXYMETHYL)ISOPHTHALATE

SDS

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