4-Methyl-1-naphthonitrile - CAS 36062-93-8
Catalog: |
BB022848 |
Product Name: |
4-Methyl-1-naphthonitrile |
CAS: |
36062-93-8 |
Synonyms: |
4-methyl-1-naphthalenecarbonitrile; 4-methylnaphthalene-1-carbonitrile |
IUPAC Name: | 4-methylnaphthalene-1-carbonitrile |
Description: | 4-Methyl-1-naphthonitrile (CAS# 36062-93-8) is a useful research chemical. |
Molecular Weight: | 167.21 |
Molecular Formula: | C12H9N |
Canonical SMILES: | CC1=CC=C(C2=CC=CC=C12)C#N |
InChI: | InChI=1S/C12H9N/c1-9-6-7-10(8-13)12-5-3-2-4-11(9)12/h2-7H,1H3 |
InChI Key: | XDIWTJZAYBYKHM-UHFFFAOYSA-N |
Boiling Point: | 336.9 ℃ at 760 mmHg |
Density: | 1.11 g/cm3 |
MDL: | MFCD00079742 |
LogP: | 3.01988 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113480534-A | Benzimidazole or azabenzimidazole-6-carboxylic acid compounds and application thereof | 20210723 |
WO-2021083182-A1 | Uricosuric agent, synthetic method therefor, and pharmaceutical application thereof | 20191028 |
US-2018198074-A1 | Heterocyclic compound and organic light-emitting device including the same | 20170106 |
US-10854823-B2 | Heterocyclic compound and organic light-emitting device including the same | 20170106 |
US-2018019410-A1 | Heterocyclic compound and organic light-emitting device including the same | 20160713 |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.073499291 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.073499291 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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