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1,3-Benzodioxole-5-carbonitrile

1,3-Benzodioxole-5-carbonitrile structure

CAS No:
4421-09-4
Formula:
C8H5NO2
Chemical Name:
1,3-Benzodioxole-5-carbonitrile
Synonyms:
1,3-Benzodioxole-5-carbonitrile;Piperonylonitrile;1-Cyano-3,4-methylenedioxybenzene;5-Cyano-1,3-benzodioxole;3,4-(Methylenedioxy)benzonitrile;NSC 27009;2H-Benzo[d]-1,3-dioxolane-5-carbonitrile;Benzodioxole-5-carbonitrile;Benzo[d][1,3]dioxole-5-carbonitrile;1,3-Dioxaindane-5-carbonitrile;2H-1,3-Benzodioxole-5-carbonitrile
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

Piperonylonitrile is a member of benzodioxoles.

1,3-Benzodioxole-5-carbonitrile Basic Attributes

Molecular Weight：

147.13

Exact Mass：

147.13

BRN：

6224

EC Number：

224-590-6

NSC Number：

27009

DSSTox ID：

DTXSID80196071

HScode：

2932999099

Characteristics

PSA：

42.2

XLogP3：

1.3

Appearance：

White to beige Crystalline Powder or Needles

Density：

1.3±0.1 g/cm3

Melting Point：

94-97 °C @ Solvent: Water

Boiling Point：

257.3±29.0 °C at 760 mmHg

Flash Point：

115.4±17.5 °C

Refractive Index：

1.597

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

20/21/22-20/21

safety instructions：

36-23-24/25

RTECS Number：

TO2645000

Marks：

Xn,Xi

Hazard note：

Irritant

Precautionary statement(s)：

P280

Hazard Statements：

H302 + H312 + H332

GHS Classification：

|Warning|H302 (97.78%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 45 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1,3-Benzodioxole-5-carbonitrile Use and Manufacturing

A methylenedioxyphenyl (MDP) compound. Inhibitor of nasal P 450-dependent N-demethylase in rabbits. Toxic against D. farinae, D. pteronyssinus, and T. putrescentiae.

Computed Properties

Molecular Weight:147.13
XLogP3:1.3
Hydrogen Bond Acceptor Count:3
Exact Mass:147.032028402
Monoisotopic Mass:147.032028402
Topological Polar Surface Area:42.2
Heavy Atom Count:11
Complexity:196
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 4421-09-4

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Piperonylonitrile 99% White to beige Crystalline Powder or Needles worldyang

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CAS 4421-09-4 Piperonylonitrile 1,3-BENZODIOXOLE-5-CARBONITRILE 3,4-METHYLENEDIOXYBENZONITRILE

CAS No.: 4421-09-4

Grade: Chemical Grade

Content: 99%

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Guide of 1,3-Benzodioxole-5-carbonitrile

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Learn More Other Chemicals

1,3-Benzodioxole-5-carbonitrile

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