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4-tert-Butylphthalonitrile

4-tert-Butylphthalonitrile structure

CAS No:
32703-80-3
Formula:
C12H12N2
Chemical Name:
4-tert-Butylphthalonitrile
Synonyms:
1,2-Benzenedicarbonitrile,4-(1,1-dimethylethyl)-;Phthalonitrile,4-tert-butyl-;4-(1,1-Dimethylethyl)-1,2-benzenedicarbonitrile;4-tert-Butylphthalonitrile;4-tert-Butylphthalodinitrile;4-tert-Butyl-1,2-dicyanobenzene;1,2-Dicyano-4-tert-butylbenzene;4-tert-Butylbenzene-1,2-dicarbonitrile
Categories:
Organic Chemistry > Coordination Complexes

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4-tert-Butylphthalonitrile Basic Attributes

Molecular Weight：

184.24

Exact Mass：

184.24

EC Number：

251-166-8

DSSTox ID：

DTXSID90186382

Characteristics

PSA：

47.6 Å²

Density：

1.04±0.1 g/cm3

Melting Point：

57-59 °C

Boiling Point：

165-168 °C6 mm Hg(lit.)

Refractive Index：

1.6266 (estimate)

Safety Information

wgk germany：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:184.24
XLogP3:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:184.100048391
Monoisotopic Mass:184.100048391
Topological Polar Surface Area:47.6
Heavy Atom Count:14
Complexity:293
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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