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1,4-Dicyanobenzene

1,4-Dicyanobenzene structure

CAS No:
623-26-7
Formula:
C8H4N2
Chemical Name:
1,4-Dicyanobenzene
Synonyms:
1,4-Benzenedicarbonitrile;Terephthalonitrile;1,4-Dicyanobenzene;p-Dicyanobenzene;p-Phthalodinitrile;p-Benzenedinitrile;Terephthalodinitrile;4-Cyanobenzonitrile;Terephthalic acid dinitrile;1,4-Benzodinitrile;p-Phthalonitrile;p-Cyanobenzonitrile;1,4-Bis(cyano)benzene;p-Benzenedicarbonitrile;NSC 144977;NSC 78439
Categories:
Chemical Reagents > Organic Reagents

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Description

biege powder

1,4-Dicyanobenzene Basic Attributes

Molecular Weight：

128.13

Exact Mass：

128.13

EC Number：

210-783-2

UNII：

E6ITH5CIS3

NSC Number：

144977|78439

DSSTox ID：

DTXSID1060768

HScode：

2926909090

Characteristics

PSA：

47.6

XLogP3：

0.9

Appearance：

white needle crystal or powder

Density：

1.2±0.1 g/cm3

Melting Point：

224 °C

Boiling Point：

285 °C

Flash Point：

142.8±16.5 °C

Refractive Index：

1.566

Water Solubility：

0.08 g/L (23 ºC)

Storage Conditions：

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

Toxicity：

LD50 orl-rat: >6400 mg/kg ZAARAM 19,225,69

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

3439

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S24/25

RTECS Number：

CZ1925000

Marks：

Xi: Irritant;

Stability/Shelf Life：

Stable. Incompatible with strong acids, strong bases, strong oxidizing agents, strong reducing agents.

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (97.62%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Bioconcentration：

2.00

Drug Information

Biological Half-Life：

0.15 Days

MeSH Entry Terms：

1,4-dicyanobenzene

1,4-Dicyanobenzene Use and Manufacturing

Manufacturing Info：

1,4-Benzenedicarbonitrile: ACTIVE

Computed Properties

Molecular Weight:128.13
XLogP3:0.9
Hydrogen Bond Acceptor Count:2
Exact Mass:128.037448136
Monoisotopic Mass:128.037448136
Topological Polar Surface Area:47.6
Heavy Atom Count:10
Complexity:170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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