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METHYL4-CHLORO-3,5-DINITROBENZOATE

METHYL4-CHLORO-3,5-DINITROBENZOATE structure

CAS No:
2552-45-6
Formula:
C8H5ClN2O6
Chemical Name:
METHYL4-CHLORO-3,5-DINITROBENZOATE
Synonyms:
Methyl 4-chloro-3,5-dinitrobenzoate;Benzoic acid, 4-chloro-3,5-dinitro-, methyl ester;4-Chloro-3,5-dinitro-benzoic acid methyl ester;NSC 56926;NCIOpen2_002407;SCHEMBL645817;CTK4F5971;DTXSID10180221;NSC56926;ZINC1687732

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METHYL4-CHLORO-3,5-DINITROBENZOATE Basic Attributes

Molecular Weight：

260.58800

Exact Mass：

259.98400

NSC Number：

56926

DSSTox ID：

DTXSID10180221

Characteristics

PSA：

117.94000

XLogP3：

2.98940

Density：

1.599g/cm3

Melting Point：

106-107 °C(Solv: methanol (67-56-1))

Boiling Point：

381.4ºC at 760mmHg

Flash Point：

184.5ºC

Refractive Index：

1.603

Vapor Pressure：

5.09E-06mmHg at 25°C

Safety Information

Precautionary statement(s)：

P261, P272, P280, P302+P352, P321, P333+P313, P363, P501

Hazard Statements：

H317

GHS Classification：

|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:260.59
XLogP3:2.8
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:259.9836136
Monoisotopic Mass:259.9836136
Topological Polar Surface Area:118
Heavy Atom Count:17
Complexity:314
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of METHYL4-CHLORO-3,5-DINITROBENZOATE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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