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3-(5-Oxazolyl)aniline

3-(5-Oxazolyl)aniline structure

CAS No:
157837-31-5
Formula:
C9H8N2O
Chemical Name:
3-(5-Oxazolyl)aniline
Synonyms:
3-(1,3-Oxazol-5-yl)aniline;
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3-(5-Oxazolyl)aniline Basic Attributes

Molecular Weight：

160.17300

Exact Mass：

160.063662883

DSSTox ID：

DTXSID90372304

HScode：

2934999090

Characteristics

PSA：

52.05000

XLogP3：

2.50500

Density：

1.204g/cm3

Melting Point：

93-95ºC

Boiling Point：

359.1ºC at 760mmHg

Flash Point：

171ºC

Refractive Index：

1.599

Vapor Pressure：

2.43E-05mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26; S36/37/39

Marks：

GHS Classification：

|Danger|H301 (92.68%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501|Aggregated GHS information provided by 41 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:160.17
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:160.063662883
Monoisotopic Mass:160.063662883
Topological Polar Surface Area:52
Heavy Atom Count:12
Complexity:152
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes