1-Isocyanato-4-isopropylbenzene | CAS No. 31027-31-3

1-Isocyanato-4-isopropylbenzene

Basic Information

CAS Number

31027-31-3

Molecular Formula

C10H11NO

Molecular Weight

161.2 g/mol

AD

Basic Physical Properties

Boiling Point

85 ºC (4 mmHg)

Flash Point

94 ºC

Refractive Index

1.519-1.521

CC(C)C1=CC=C(C=C1)N=C=O

InChI

InChI=1S/C10H11NO/c1-8(2)9-3-5-10(6-4-9)11-7-12/h3-6,8H,1-2H3

InChIKey

PJVRNNRZWASOIT-UHFFFAOYSA-N

LogP

2.777300000000001

Topological Polar Surface Area

29.43 Ų

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

174

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302
H312H312
H315H315
H319H319
H332H332
H335H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H312 Harmful in contact with skin
Acute toxicity, dermal
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H332 Harmful if inhaled
Acute toxicity, inhalation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

  • SCHEMBL131853
  • FT-0618815
  • EC 250-439-9
  • 1-Isocyanato-4-isopropyl-benzene;4-Isopropylphenyl isocyanate
  • p-isopropylphenylisocyanate
  • 31027-31-3
  • p-Isopropylphenyl isocyanate
  • 4-Isopropylphenyl isocyanate, 98%
  • MFCD00013880
  • W-106917
  • F95153
  • 1-isocyanato-4-propan-2-ylbenzene
  • 4-Isopropyl phenylisocyanate
  • AKOS000174594
  • 1-isocyanato-4-isopropylbenzene
  • NS00008872
  • AS-15646
  • 4-Isopropylphenylisocyanate
  • 1-isocyanato-4-(propan-2-yl)benzene
  • Benzene, 1-isocyanato-4-(1-methylethyl)-
  • 1-Isocyanato-4-(1-methylethyl)benzene
  • EN300-147124
  • 2R77N4F85Q
  • DTXSID40184999
  • 4(1-methylethyl)phenylisocyanate
  • EINECS 250-439-9
  • 1-Isocyanato-4-isopropyl-benzene
  • 4-Isopropylphenyl isocyanate
  • A5638
  • IPPI
  • 1-Isocyanato-4-isopropylbenzene

MDL Number

MFCD00013880

Customs Code

2929109000

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