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3-Cyanoindole

3-Cyanoindole structure

CAS No:
5457-28-3
Formula:
C9H6N2
Chemical Name:
3-Cyanoindole
Synonyms:
NSC 24935;3-indole A;3-CYANOINDOLE;3-Indonylnitrile;3-Cyanoindole 98%;3-Cyanoindole ,98%;3-CYANOINDOLE (ICN);RARECHEM AH BS 0093;3-INDOLECARBONITRILE;INDOLE-3-CARBONITRILE
Categories:
Inorganic Chemistry > Inorganic Salts

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Description

brown-grey to brown crystalline powder

3-Cyanoindole Basic Attributes

Molecular Weight：

142.161

Exact Mass：

142.053101

NSC Number：

24935

DSSTox ID：

DTXSID00282208

HScode：

2933990090

Characteristics

PSA：

39.6

XLogP3：

2.3

Appearance：

Light yellow-orange crystal

Density：

1.2±0.1 g/cm3

Melting Point：

179-182 °C(lit.)

Boiling Point：

350°C at 760 mmHg

Flash Point：

121.9±5.6 °C

Refractive Index：

1.675

Water Solubility：

Insoluble in water.

Storage Conditions：

Refrigerator (+4ºC)

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3439

wgk germany：

hazard class code：

R20/21/22;R36/37/38

safety instructions：

S26-S37/39-S36/37/39

Marks：

Xn:Harmful;

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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：

3-cyanoindole

Computed Properties

Molecular Weight:142.16
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:142.053098200
Monoisotopic Mass:142.053098200
Topological Polar Surface Area:39.6
Heavy Atom Count:11
Complexity:191
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Dimethylformamide

Diammonium hydrogen phosphate

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3-Cyanoindole 5457-28-3

CAS No.: 5457-28-3

Grade: Industrial Grade

Content: 99%

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Guide of 3-Cyanoindole

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
Material
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3-Cyanoindole

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