3,5-Dibromobenzonitrile - CAS 97165-77-0
Catalog: |
BB042039 |
Product Name: |
3,5-Dibromobenzonitrile |
CAS: |
97165-77-0 |
Synonyms: |
3,5-dibromobenzonitrile; 3,5-dibromobenzonitrile |
IUPAC Name: | 3,5-dibromobenzonitrile |
Description: | 3,5-Dibromobenzonitrile (CAS# 97165-77-0) is a useful research chemical. |
Molecular Weight: | 260.91 |
Molecular Formula: | C7H3Br2N |
Canonical SMILES: | C1=C(C=C(C=C1Br)Br)C#N |
InChI: | InChI=1S/C7H3Br2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H |
InChI Key: | QUJGDNCWTBTBQD-UHFFFAOYSA-N |
Boiling Point: | 261.2 ℃ at 760 mmHg |
Density: | 2.06 g/cm3 |
Storage: | Inert atmosphere, 2-8 ℃ |
MDL: | MFCD00178770 |
LogP: | 3.08328 |
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 |
WO-2021155316-A1 | Compounds and uses thereof | 20200129 |
CN-112864331-A | Organometallic compound and organic light emitting device including the same | 20191127 |
KR-20210066073-A | Organometallic compound and organic light emitting device including the same | 20191127 |
US-2021159428-A1 | Organometallic compound and organic light emitting device including the same | 20191127 |
WO-2021105091-A1 | Novel heteroaryl-triazole compounds as pesticides | 20191125 |
Complexity: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.86117 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.86322 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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