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1-Phenylisatin

1-Phenylisatin structure

CAS No:
723-89-7
Formula:
C14H9NO2
Chemical Name:
1-Phenylisatin
Synonyms:
1H-Indole-2,3-dione,1-phenyl-;Indole-2,3-dione,1-phenyl-;Isatin,1-phenyl-;1-Phenyl-1H-indole-2,3-dione;1-Phenylisatin;N-Phenylisatin;NSC 100013;1-Phenyl-2,3-indolinedione;1-Phenylindole-2,3-dione;1-Phenyl-2,3-dihydro-1H-indole-2,3-dione
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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1-Phenylisatin Basic Attributes

Molecular Weight：

223.231

Exact Mass：

223.23

NSC Number：

100013

DSSTox ID：

DTXSID20222626

HScode：

2933990090

Characteristics

PSA：

37.4

XLogP3：

2.61260

Density：

1.338g/cm3

Melting Point：

138 °C

Boiling Point：

388.8ºC at 760 mmHg

Flash Point：

182.6ºC

Refractive Index：

1.667

Water Solubility：

Insoluble in water.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R23/24/25

safety instructions：

S27-S28-S36/37/39-S45

RTECS Number：

NL7984000

Marks：

T: Toxic;

Precautionary statement(s)：

P301 + P312 + P330

Hazard Statements：

H302

GHS Classification：

|Danger|H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:223.23
XLogP3:2.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:223.063328530
Monoisotopic Mass:223.063328530
Topological Polar Surface Area:37.4
Heavy Atom Count:17
Complexity:333
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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