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Phenyl 3-pyridinecarboxylate

Phenyl 3-pyridinecarboxylate structure

CAS No:
3468-53-9
Formula:
C12H9NO2
Chemical Name:
Phenyl 3-pyridinecarboxylate
Synonyms:
3-Pyridinecarboxylic acid,phenyl ester;Nicotinic acid,phenyl ester;Phenyl 3-pyridinecarboxylate;Phenyl nicotinate;NSC 75878

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Phenyl 3-pyridinecarboxylate Basic Attributes

Molecular Weight：

199.20500

Exact Mass：

199.21

EC Number：

222-428-9

UNII：

VRD2L6RM16

NSC Number：

75878

DSSTox ID：

DTXSID3063045

HScode：

2933399090

Characteristics

PSA：

39.19000

XLogP3：

2.30080

Density：

1.1919 (rough estimate)

Melting Point：

59 °C

Boiling Point：

166.5 °C @ Press: 9 Torr

Flash Point：

186-188°C/20mm

Refractive Index：

1.589

Safety Information

hazard class code：

R36/37/38;R43

safety instructions：

S26-S36/37/39

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P310, P321, P332+P313, P362

Hazard Statements：

H315

GHS Classification：

|Danger|H315 (11.63%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P310, P321, P332+P313, and P362|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

phenyl nicotinate

Phenyl 3-pyridinecarboxylate Use and Manufacturing

Manufacturing Info：

3-Pyridinecarboxylic acid, phenyl ester: INACTIVE

Computed Properties

Molecular Weight:199.20
XLogP3:2.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:199.063328530
Monoisotopic Mass:199.063328530
Topological Polar Surface Area:39.2
Heavy Atom Count:15
Complexity:212
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Phenyl 3-pyridinecarboxylate

Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

Phenyl 3-pyridinecarboxylate

SDS

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