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2,4,6-Trichlorobenzonitrile

2,4,6-Trichlorobenzonitrile structure

CAS No:
6575-05-9
Formula:
C7H2Cl3N
Chemical Name:
2,4,6-Trichlorobenzonitrile
Synonyms:
2,4,6-Trichlorobenzonitrile;Benzonitrile, 2,4,6-trichloro-;MFCD00052711;2,4,6-trichlorobenzenecarbonitrile;PubChem4822;C7H2Cl3N;ACMC-1B2TU;SCHEMBL952362;CTK3J0871;PGODHCIOIPODFE-UHFFFAOYSA-
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

White crystals

2,4,6-Trichlorobenzonitrile Basic Attributes

Molecular Weight：

206.45

Exact Mass：

204.925278

DSSTox ID：

DTXSID60334873

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

3.5

Density：

1.5±0.1 g/cm3

Melting Point：

80-82°C

Boiling Point：

303.1±37.0 °C at 760 mmHg

Flash Point：

136.4±20.7 °C

Refractive Index：

1.601

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

hazard class code：

R36/37/38

safety instructions：

S26-S36/37/39

Marks：

Precautionary statement(s)：

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, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (16.67%): 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 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:206.5
XLogP3:3.5
Hydrogen Bond Acceptor Count:1
Exact Mass:204.925282
Monoisotopic Mass:204.925282
Topological Polar Surface Area:23.8
Heavy Atom Count:11
Complexity:173
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,4,6-Trichlorobenzonitrile

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Recommended Suppliers
Latest News
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2,4,6-Trichlorobenzonitrile

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