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2,3-DIHYDRO-1,4-BENZODIOXINE-6-CARBONITRILE

2,3-DIHYDRO-1,4-BENZODIOXINE-6-CARBONITRILE structure

CAS No:
19102-07-9
Formula:
C9H7NO2
Chemical Name:
2,3-DIHYDRO-1,4-BENZODIOXINE-6-CARBONITRILE
Synonyms:
2,3-dihydro-benzo[1,4]dioxine-6-carbonitrile; 2,3-DIAMINO-6-(TRIFLUOROMETHYL)-4-(3H)-PYRIMIDONE; 2,3-dihydro-benzo[1,4]dioxin-6-carbonitrile; 2H,3H-benzo[e]1,4-dioxane-6-carbonitrile; 2,3-Dihydro-1,4-Benzodioxin-6-Carbonitrile; 2,3-Dihydro-benzo[1,4]dioxin-6-carbonitril; 3,4-ethylenedioxybenzonitrile; 2,3-Dihydrobenzo[b][1,4]dioxine-6-carbonitrile; di-hydroxy benzonitrile;Expand
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2,3-DIHYDRO-1,4-BENZODIOXINE-6-CARBONITRILE Basic Attributes

Molecular Weight：

161.15700

Exact Mass：

161.047678466

DSSTox ID：

DTXSID30384249

HScode：

2932999099

Characteristics

PSA：

42.25000

XLogP3：

1.32948

Density：

1.27g/cm3

Boiling Point：

278.1ºC

Flash Point：

119.2ºC

Refractive Index：

1.58

Vapor Pressure：

0.00436mmHg at 25°C

Safety Information

Marks：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:161.16
XLogP3:1.2
Hydrogen Bond Acceptor Count:3
Exact Mass:161.047678466
Monoisotopic Mass:161.047678466
Topological Polar Surface Area:42.2
Heavy Atom Count:12
Complexity:208
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,3-DIHYDRO-1,4-BENZODIOXINE-6-CARBONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties
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