(4-isocyanatophenyl)-phenyldiazene - CAS 1942-61-6
Catalog: |
BB053671 |
Product Name: |
(4-isocyanatophenyl)-phenyldiazene |
CAS: |
1942-61-6 |
Synonyms: |
p-Isocyanatoazobenzene; Diazene, (4-isocyanatophenyl)phenyl- |
IUPAC Name: | (4-isocyanatophenyl)-phenyldiazene |
Molecular Weight: | 223.23 |
Molecular Formula: | C13H9N3O |
Canonical SMILES: | C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=C=O |
InChI: | InChI=1S/C13H9N3O/c17-10-14-11-6-8-13(9-7-11)16-15-12-4-2-1-3-5-12/h1-9H |
InChI Key: | HICXYNWIRHBSKQ-UHFFFAOYSA-N |
Boiling Point: | 359.2°C at 760 mmHg |
Density: | 1.13 g/cm3 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P317, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 296 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.074561919 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.074561919 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 54.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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