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2,3-Dichlorobenzonitrile

2,3-Dichlorobenzonitrile structure

CAS No:
6574-97-6
Formula:
C7H3Cl2N
Chemical Name:
2,3-Dichlorobenzonitrile
Synonyms:
Benzonitrile,2,3-dichloro-;2,3-Dichlorobenzonitrile;2,3-Dichlorophenyl cyanide
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white powder

2,3-Dichlorobenzonitrile Basic Attributes

Molecular Weight：

172.008

Exact Mass：

172.01

EC Number：

625-309-3

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

2.9

Appearance：

white powder.

Density：

1.4±0.1 g/cm3

Melting Point：

60-64 °C(lit.)

Boiling Point：

253.1°C at 760 mmHg

Flash Point：

108.0±16.0 °C

Refractive Index：

1.584

Water Solubility：

It is miscible with water.

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：

S22-S26-S36/37/39-S45

Marks：

Xn:Harmful;

Precautionary statement(s)：

P280

Hazard Statements：

H302-H312-H332

GHS Classification：

|Warning|H302 (99.5%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P391, and P501|Aggregated GHS information provided by 201 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,3-Dichlorobenzonitrile Use and Manufacturing

General procedure: at room temperature, n-CEXAMPLE 56B EXAMPLE 56C 3-Amino-2-carbomethoxy-7-chloro-benzthiophene The product from Example 56B (1.7 g, 10 mmol) was treated with 1 eq of methyl thioglycolate and 1 eq sodium carbonate in methanol as described in Example 41A to give after chromatography (4:1 hexane/EtOAc) the title compound in 12percent yield. 1H NMR (300 MHz, CDCl3) d 3.81 (s, 3H), 5.90 (bs, 2H), 7.34 (t, J=8 Hz, 1H), 7.48 (dd, J=8.1 Hz, 1H), 7.56 (dd, J=8, 1 Hz, 1H). MS (DCI/NH3) m/e 259 (M+NH4)+.Examples of aromatic nitriles (I) which can be prepared by the process according to the present invention are:para-chloro-benzonitrile;meta-chloro-benzonitrile;ortho-chloro-benzonitrile;2-fluoro-benzonitrile;Process according to claim 1, characterized in that the following nitriles (I) are prepared:para-chloro-benzonitrile;meta-chloro-benzonitrile;ortho-chloro-benzonitrile;2-fluoro-benzonitrile;

Computed Properties

Molecular Weight:172.01
XLogP3:2.9
Hydrogen Bond Acceptor Count:1
Exact Mass:170.9642545
Monoisotopic Mass:170.9642545
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 2,3-Dichlorobenzonitrile

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2,3-Dichlorobenzonitrile

CAS No.: 6574-97-6

Content: 99.00%

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NANTONG REFORM PETRO-CHEMICAL CO.,LTD Contact Supplier

CN
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2,3-Dichlorobenzonitrile 6574-97-6

CAS No.: 6574-97-6

Grade: Industrial Grade

Content: 99%

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