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3,4-Dichlorobenzeneacetonitrile

3,4-Dichlorobenzeneacetonitrile structure

CAS No:
3218-49-3
Formula:
C8H5Cl2N
Chemical Name:
3,4-Dichlorobenzeneacetonitrile
Synonyms:
Benzeneacetonitrile,3,4-dichloro-;Acetonitrile,(3,4-dichlorophenyl)-;3,4-Dichlorobenzeneacetonitrile;(3,4-Dichlorophenyl)acetonitrile;3,4-Dichlorobenzyl cyanide;NSC 111725;2-(3,4-Dichlorophenyl)acetonitrile
Categories:
Pharmaceutical Intermediates > Anxiolytics

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Description

WHITE CRYSTALLINE POWDER

3,4-Dichlorobenzeneacetonitrile Basic Attributes

Molecular Weight：

186.04

Exact Mass：

186.04

EC Number：

221-743-9

NSC Number：

111725

DSSTox ID：

DTXSID70185959

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

3.3

Appearance：

white crystalline powder

Density：

1.3±0.1 g/cm3

Melting Point：

41-42 °C

Boiling Point：

170 °C @ Press: 12 Torr

Flash Point：

125.9±17.4 °C

Refractive Index：

1.566

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container.

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

R20/21/22;R36/37/38

safety instructions：

S26-S37/39-S36/37/39

Marks：

Xn:Harmful

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 (10.87%): 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 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:186.03
XLogP3:3.3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:184.9799046
Monoisotopic Mass:184.9799046
Topological Polar Surface Area:23.8
Heavy Atom Count:11
Complexity:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 3218-49-3

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CAS No.: 3218-49-3

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3,4-Dichlorophenylacetonitrile 3218-49-3

CAS No.: 3218-49-3

Grade: Industrial Grade

Content: 99%

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Guide of 3,4-Dichlorobenzeneacetonitrile

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
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Latest News
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3,4-Dichlorobenzeneacetonitrile

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