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1,3-Benzenediacetonitrile

1,3-Benzenediacetonitrile structure

CAS No:
626-22-2
Formula:
C10H8N2
Chemical Name:
1,3-Benzenediacetonitrile
Synonyms:
1,3-Benzenediacetonitrile;m-Benzenediacetonitrile;m-Phenylenediacetonitrile;m-Bis(cyanomethyl)benzene;m-Phenylenebisacetonitrile;1,3-Phenylenediacetonitrile;NSC 77095;m-Xylylene dicyanide;1,3-Bis-(cyanomethyl)-benzene;2-[3-(Cyanomethyl)phenyl]acetonitrile
Categories:
Specialty Chemicals

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Description

WHITE ADHERING CRYSTALS

1,3-Benzenediacetonitrile Basic Attributes

Molecular Weight：

156.18

Exact Mass：

156.18

BRN：

3240670

EC Number：

210-936-3

UNII：

P3W7U10SP7

NSC Number：

77095

DSSTox ID：

DTXSID10211645

HScode：

29269095

Characteristics

PSA：

47.6

XLogP3：

0.68

Appearance：

Off-white solid.

Density：

1.1±0.1 g/cm3

Melting Point：

27 °C

Boiling Point：

170 °C25 mm Hg(lit.)

Flash Point：

>230 °F

Refractive Index：

1.550

Water Solubility：

H2O: insoluble

Storage Conditions：

Store in a cool, dry place. Keep containers tightly closed.

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3439

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-37/39-24/25-36

RTECS Number：

AM1780000

Marks：

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.

Computed Properties

Molecular Weight:156.18
XLogP3:1.3
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:203
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-Benzenediacetonitrile

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Recommended Suppliers
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1,3-Benzenediacetonitrile

SDS

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