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1,4-Benzenediacetonitrile

1,4-Benzenediacetonitrile structure

CAS No:
622-75-3
Formula:
C10H8N2
Chemical Name:
1,4-Benzenediacetonitrile
Synonyms:
1,4-Benzenediacetonitrile;p-Benzenediacetonitrile;p-Xylylene dicyanide;p-Phenylenediacetonitrile;p-Bis(cyanomethyl)benzene;p-(Cyanomethyl)benzyl cyanide;1,4-Bis(cyanomethyl)benzene;p-Xylylenedinitrile;7,8-Dicyano-p-xylene;1,4-Phenylenediacetonitrile;1,4-Phenyldiacetonitrile;NSC 513731;4-Cyanomethylphenylacetonitrile;2,2′-(1,4-Phenylene) diacetonitrile;1,4-Di(cyanomethyl)benzene;2-[4-(Cyanomethyl)phenyl]acetonitrile
Categories:
Organic Chemistry > Nitrile Compound

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Description

Light yellow to brown crystalline powder

1,4-Benzenediacetonitrile Basic Attributes

Molecular Weight：

156.18

Exact Mass：

156.18

BRN：

1866157

EC Number：

210-751-8

NSC Number：

513731

DSSTox ID：

DTXSID7060758

HScode：

2926909090

Characteristics

PSA：

47.6

XLogP3：

1.2

Appearance：

White powder.

Density：

1.1±0.1 g/cm3

Melting Point：

222 °C

Boiling Point：

85 °C @ Press: 12 Torr

Flash Point：

163.6±16.2 °C

Refractive Index：

1.550

Water Solubility：

Insoluble in water.

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-37/39-24/25-22-36

Marks：

Xn,Xi

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302 + H312 + H332-H315-H319-H335

GHS Classification：

|Danger|H301 (11.36%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, 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.

1,4-Benzenediacetonitrile Use and Manufacturing

Methods of Manufacturing

A mixture of 1, 4-bis(bromomethyl)benze d cyanopotassium (4.80 g, 73.6 mmol) in ethanol (80.0 mL) and water (40 mL) was stirred at 50-60 °C for 3 hours. Water (300 mL) was added into the mixture. The resulting mixture was extracted with DCM (3 x 200 mL). The combined organic layer was washed with water (200 mL) three times and brine (200 mL), then concentrated to afford 2, 2'-(1, 4-phenylene)diacetonitrile (4.3 g, 91percent yield) as a white solid.

Manufacturing Info：

1,4-Benzenediacetonitrile: ACTIVE

Computed Properties

Molecular Weight:156.18
XLogP3:1.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:156.068748264
Monoisotopic Mass:156.068748264
Topological Polar Surface Area:47.6
Heavy Atom Count:12
Complexity:193
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 1,4-Benzenediacetonitrile

Creasyn Finechem(Tianjin) Co., Ltd. Contact Supplier

CN
3 YRS

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Trader Supplier of N,N'-Dimethylethylenediamine

1,4-Phenylenediacetonitrile

CAS No.: 622-75-3

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Guide of 1,4-Benzenediacetonitrile

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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1,4-Benzenediacetonitrile

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