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2,6-Dichlorophenyl isocyanate

2,6-Dichlorophenyl isocyanate structure

CAS No:
39920-37-1
Formula:
C7H3Cl2NO
Chemical Name:
2,6-Dichlorophenyl isocyanate
Synonyms:
Benzene,1,3-dichloro-2-isocyanato-;1,3-Dichloro-2-isocyanatobenzene;2,6-Dichlorophenyl isocyanate
Categories:
Chemical Reagents > Organic Reagents

Description

white to yellow crystalline mass The dichlorophenyl isocyanates are combustible, crystalline (sugar or sand-like) solids. In general, they are white to yellow in color, but the 1,4-dichloro-2-phenyl isomer is white to light green. Their flash points are generally .113C but that of the 1,3-dichloro-2-phenyl isomer is reported as 77C. These chemicals are insoluble in water, and some may be reactive. 1,2-dichloro-4-isomer (CAS 102-36-3) is the isomer of regulatory focus

2,6-Dichlorophenyl isocyanate Basic Attributes

Molecular Weight：

188.01

Exact Mass：

188.01

BRN：

608323

EC Number：

254-699-4

DSSTox ID：

DTXSID4074568

HScode：

2929109000

Characteristics

PSA：

29.4

XLogP3：

2.96070

Density：

1,015 g/cm3

Melting Point：

40-45 °C

Boiling Point：

101°C5mm

Flash Point：

76 °C

Refractive Index：

1.575

Water Solubility：

Decomposes in water

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

2250

wgk germany：

hazard class code：

42-36/37/38-23/24/25

safety instructions：

45-38-36/37/39-28A-26-22-27

Marks：

Precautionary statement(s)：

P261-P280-P301 + P310-P305 + P351 + P338-P311

Hazard Statements：

H301 + H311 + H331-H315-H319-H335

GHS Classification：

|Danger|H301 (97.73%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P284, P285, P301+P310, P302+P352, P304+P340, P304+P341, P305+P351+P338, P310, P311, P312, P320, P321, P322, P330, P332+P313, P337+P313, P342+P311, 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:188.01
XLogP3:4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:186.9591691
Monoisotopic Mass:186.9591691
Topological Polar Surface Area:29.4
Heavy Atom Count:11
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2,6-Dichlorophenyl isocyanate

CAS No.: 39920-37-1

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Guide of 2,6-Dichlorophenyl isocyanate

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
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2,6-Dichlorophenyl isocyanate

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