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1-Methylisatin

1-Methylisatin structure

CAS No:
2058-74-4
Formula:
C9H7NO2
Chemical Name:
1-Methylisatin
Synonyms:
1H-Indole-2,3-dione,1-methyl-;Indole-2,3-dione,1-methyl-;Isatin,1-methyl-;1-Methyl-1H-indole-2,3-dione;1-Methylisatin;N-Methylisatin;OL 57;1-Methyl-2,3-indolinedione;1-Methylindole-2,3-dione;N-Methylindoline-2,3-dione;NSC 42449;N-Methyl-indole-2,3-dione;1-Methyl-2,3-dioxoindole;1-Methyl-2,3-dihydro-1H-indole-2,3-dione
Categories:
Organic Chemistry > Coordination Complexes

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Description

ORANGE TO BROWNISH CRYSTALLINE POWDER

1-Methylisatin Basic Attributes

Molecular Weight：

161.16

Exact Mass：

161.16

EC Number：

218-164-9

NSC Number：

42449

DSSTox ID：

DTXSID80174591

HScode：

2933990090

Characteristics

PSA：

37.4

XLogP3：

0.58 (LogP)

Appearance：

orange to brownish crystalline powder

Density：

1.3±0.1 g/cm3

Melting Point：

130-133 °C

Boiling Point：

294.3°C at 760 mmHg

Flash Point：

137.4±15.0 °C

Refractive Index：

1.607

Water Solubility：

Insoluble in water.

Vapor Pressure：

0.00164mmHg at 25°C

Safety Information

Transport codes：

UN 2811 6.1/PG 3

wgk germany：

hazard class code：

R25

safety instructions：

S26-S39-S45

RTECS Number：

NL7939000

Marks：

T: Toxic;

Precautionary statement(s)：

P261-P280-P301 + P310-P305 + P351 + P338

Hazard Statements：

H301-H315-H318-H335

GHS Classification：

|Danger|H301 (86.36%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-methyl-1H-indole-2,3-dione

Computed Properties

Molecular Weight:161.16
XLogP3:0.6
Hydrogen Bond Acceptor Count:2
Exact Mass:161.047678466
Monoisotopic Mass:161.047678466
Topological Polar Surface Area:37.4
Heavy Atom Count:12
Complexity:237
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 2058-74-4

Grade: Industrial Grade

Content: 99%

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