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Home > Encyclopedia > 2-NITROPHENYLISOCYANATE

2-NITROPHENYLISOCYANATE

2-NITROPHENYLISOCYANATE structure

2-NITROPHENYLISOCYANATE 

structure
  • CAS No:

    2719-30-4

  • Formula:

    C7H4N2O2S

  • Chemical Name:

    2-NITROPHENYLISOCYANATE

  • Synonyms:

    NSC203074;2719-30-4;ZINC04269449;TIMTEC-BBSBB006627;O-NITROPHENYLISOCYANATE;2-NITROPHENYLISOCYANATE;2-NITROPHENYLISOTHIOCYANATE;1-Isothiocyanato-2-nitrobenzene

2-NITROPHENYLISOCYANATE Basic Attributes

180.18400

179.99900

203074

DTXSID70181658

2930909090

Characteristics

90.27000

2.85230

yellow solid

1.33g/cm3

73ºC

135-137ºC17 mm Hg(lit.)

150.5ºC

1.631

Hydrolyzes with water.

0.000441mmHg at 25°C

Safety Information

II

6.1

UN 2811

3

R20/21/22;R36/37/38

S26-S36/37/39

Xn: Harmful;Xi: Irritant;

P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

H302

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:180.19
XLogP3:3.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:179.99934855
Monoisotopic Mass:179.99934855
Topological Polar Surface Area:90.3
Heavy Atom Count:12
Complexity:220
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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