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1,2-Benzenediacetonitrile

1,2-Benzenediacetonitrile structure

CAS No:
613-73-0
Formula:
C10H8N2
Chemical Name:
1,2-Benzenediacetonitrile
Synonyms:
1,2-Benzenediacetonitrile;o-Benzenediacetonitrile;o-Bis(cyanomethyl)benzene;o-Xylylene dicyanide;1,2-Bis(cyanomethyl)benzene;(2-(Cyanomethyl)phenyl)acetonitrile;α,α′-Dicyano-o-xylene;1,2-Phenylenediacetonitrile;NSC 5170;o-Phenylenediacetonitrile;2,2′-(1,2-Phenylene)-diacetonitrile;2-[2-(Cyanomethyl)phenyl]acetonitrile
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white to yellow-beige crystals, crystalline

1,2-Benzenediacetonitrile Basic Attributes

Molecular Weight：

156.18

Exact Mass：

156.18

BRN：

510075

EC Number：

210-351-3

UNII：

FGS58Z5HPA

NSC Number：

5170

DSSTox ID：

DTXSID00210203

HScode：

2926909090

Characteristics

PSA：

47.6

XLogP3：

1.2

Appearance：

White to yellow-beige and/or yellow-orange Crystals, Crystalline Powder and/or Chunks

Density：

1.1±0.1 g/cm3

Melting Point：

58-59 °C @ Solvent: Ethanol

Boiling Point：

74 °C @ Press: 0.7 Torr

Flash Point：

157.7±16.2 °C

Refractive Index：

1.550

Water Solubility：

Insoluble in water.

Storage Conditions：

2-8°C

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：

36/37-36/37/39-26-36

Marks：

Xn,Xi

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (88.68%): 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 53 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

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:201
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,2-Benzenediacetonitrile

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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1,2-Benzenediacetonitrile

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