5-Bromo-2-methylphenol - CAS 36138-76-8
Catalog: |
BB022877 |
Product Name: |
5-Bromo-2-methylphenol |
CAS: |
36138-76-8 |
Synonyms: |
5-bromo-2-methylphenol |
IUPAC Name: | 5-bromo-2-methylphenol |
Description: | 5-Bromo-2-methylphenol (CAS# 36138-76-8) is a useful research chemical. |
Molecular Weight: | 187.03 |
Molecular Formula: | C7H7BrO |
Canonical SMILES: | CC1=C(C=C(C=C1)Br)O |
InChI: | InChI=1S/C7H7BrO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,1H3 |
InChI Key: | OONJCAWRVJDVBB-UHFFFAOYSA-N |
Boiling Point: | 241.8 °C at 760 mmHg |
Melting Point: | 76-78 °C |
Purity: | 95 % |
Density: | 1.554 g/cm3 |
MDL: | MFCD08061906 |
LogP: | 2.46310 |
GHS Hazard Statement: | H302 (11.63%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, 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 |
JP-2021152084-A | Pest control method | 20210702 |
WO-2021191384-A1 | Aryl piperidines as monoacylglycerol lipase modulators | 20200326 |
WO-2021176007-A1 | Fungicidal compositions | 20200305 |
WO-2021176057-A1 | Fungicidal compositions | 20200305 |
Complexity: | 94.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.96803 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.96803 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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