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4-(5-Propyl-1,3-dioxan-2-yl)benzonitrile

4-(5-Propyl-1,3-dioxan-2-yl)benzonitrile structure

CAS No:
80285-16-1
Formula:
C14H17NO2
Chemical Name:
4-(5-Propyl-1,3-dioxan-2-yl)benzonitrile
Synonyms:
Benzonitrile,4-(5-propyl-1,3-dioxan-2-yl)-;4-(5-Propyl-1,3-dioxan-2-yl)benzonitrile

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4-(5-Propyl-1,3-dioxan-2-yl)benzonitrile Basic Attributes

Molecular Weight：

231.29000

Exact Mass：

231.29

EC Number：

279-441-8

HScode：

2932999099

Characteristics

PSA：

42.25000

XLogP3：

3.01998

Density：

1.1 g/cm3

Melting Point：

58-60ºC

Boiling Point：

366.3ºC at 760 mmHg

Flash Point：

132.7ºC

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN3439

hazard class code：

R20/21/22

safety instructions：

22-36/37/39

Precautionary statement(s)：

P273, P501

Hazard Statements：

H413

GHS Classification：

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.| |Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 4 companies from 1 notifications to the ECHA C&L Inventory.

4-(5-Propyl-1,3-dioxan-2-yl)benzonitrile Use and Manufacturing

Manufacturing Info：

Benzonitrile, 4-(trans-5-propyl-1,3-dioxan-2-yl)-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:231.29
XLogP3:2.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:231.125928785
Monoisotopic Mass:231.125928785
Topological Polar Surface Area:42.2
Heavy Atom Count:17
Complexity:267
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(5-Propyl-1,3-dioxan-2-yl)benzonitrile

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

4-(5-Propyl-1,3-dioxan-2-yl)benzonitrile

SDS

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