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METHYL 3-CYANO-5-FLUOROBENZOATE

METHYL 3-CYANO-5-FLUOROBENZOATE structure

CAS No:
886732-29-2
Formula:
C9H6FNO2
Chemical Name:
METHYL 3-CYANO-5-FLUOROBENZOATE
Synonyms:
METHYL 3-CYANO-5-FLUOROBENZOATE;Benzoic acid, 3-cyano-5-fluoro-, Methyl ester
Categories:
Organic Chemistry > Organic Fluorine Compound

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METHYL 3-CYANO-5-FLUOROBENZOATE Basic Attributes

Molecular Weight：

179.1478432

Exact Mass：

179.03800

DSSTox ID：

DTXSID20650187

HScode：

2926909090

Characteristics

PSA：

50.1

XLogP3：

Density：

1.27±0.1 g/cm3(Predicted)

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (14.29%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:179.15
XLogP3:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:179.03825660
Monoisotopic Mass:179.03825660
Topological Polar Surface Area:50.1
Heavy Atom Count:13
Complexity:245
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of METHYL 3-CYANO-5-FLUOROBENZOATE

Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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METHYL 3-CYANO-5-FLUOROBENZOATE

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