Phenyl cyanate | CAS No. 1122-85-6

Phenyl cyanate

Basic Information

CAS Number

1122-85-6

Molecular Formula

C7H5NO

Molecular Weight

17.03 g/mol

AD

Basic Physical Properties

Melting Point

45-50°C

Boiling Point

77-79°C @13mm

C1=CC=C(C=C1)OC#N

InChI

InChI=1S/C7H5NO/c8-6-9-7-4-2-1-3-5-7/h1-5H

InChIKey

CWHFDTWZHFRTAB-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Ų

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

118

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H317 May cause an allergic skin reaction
Sensitization, Skin
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory
H336 May cause drowsiness or dizziness
Specific target organ toxicity, single exposure; Narcotic effects
H351 Suspected of causing cancer
Carcinogenicity

Synonyms & References

English

  • AB8955
  • Cyanic Acid Phenyl Ester
  • PhOCN
  • J-802268
  • Z1198165353
  • EINECS 214-364-5
  • FT-0653940
  • InChI=1/C7H5NO/c8-6-9-7-4-2-1-3-5-7/h1-5
  • MFCD04973644
  • SCHEMBL100094
  • EN300-111415
  • Cyanatobenzene
  • BENZENE,CYANATO
  • AKOS006292155
  • Phenylcyanate
  • CHEBI:38903
  • 1-CYANATOBENZENE
  • Cyanic acid, phenyl ester;Phenylcyanat
  • CS-W013584
  • Phenyl cyanate
  • cyanato-benzene
  • 1122-85-6
  • UNII-9DU54RB472
  • SY139763
  • NS00023624
  • Phenyl Cyanate (Stabilized with PPE)
  • Cyanic acid, phenyl ester
  • Phenylcyanat
  • Q2085533
  • AS-44932
  • BCP33715

MDL Number

MFCD04973644

Customs Code

2929909090

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