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2-Isocyanato-3,4-dimethyl-1-nitrobenzene

2-Isocyanato-3,4-dimethyl-1-nitrobenzene structure

CAS No:
302912-25-0
Formula:
C9H8N2O3
Chemical Name:
2-Isocyanato-3,4-dimethyl-1-nitrobenzene
Synonyms:
Benzene,2-isocyanato-3,4-dimethyl-1-nitro-;2-Isocyanato-3,4-dimethyl-1-nitrobenzene;2,3-Dimethyl-6-nitrophenylisocyanate

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2-Isocyanato-3,4-dimethyl-1-nitrobenzene Basic Attributes

Molecular Weight：

192.17

Exact Mass：

192.17

DSSTox ID：

DTXSID50391894

HScode：

2929109000

Characteristics

PSA：

75.25000

XLogP3：

2.70210

Density：

1.24g/cm3

Melting Point：

88-92 °C(lit.)

Boiling Point：

321.6ºC

Flash Point：

148.3ºC

Refractive Index：

1.569

Safety Information

Transport codes：

UN 3335

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

22-26-36

Marks：

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:192.17
XLogP3:3.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:192.05349212
Monoisotopic Mass:192.05349212
Topological Polar Surface Area:75.2
Heavy Atom Count:14
Complexity:268
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Isocyanato-3,4-dimethyl-1-nitrobenzene

Basic Attributes
Characteristics
Safety Information
Computed Properties

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