2-Bromo-5-nitrotoluene - CAS 7149-70-4
Catalog: |
BB034401 |
Product Name: |
2-Bromo-5-nitrotoluene |
CAS: |
7149-70-4 |
Synonyms: |
1-bromo-2-methyl-4-nitrobenzene |
IUPAC Name: | 1-bromo-2-methyl-4-nitrobenzene |
Description: | 2-Bromo-5-nitrotoluene (CAS# 7149-70-4) is a useful research chemical. |
Molecular Weight: | 216.03 |
Molecular Formula: | C7H6BrNO2 |
Canonical SMILES: | CC1=C(C=CC(=C1)[N+](=O)[O-])Br |
InChI: | InChI=1S/C7H6BrNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3 |
InChI Key: | HIMGPQVBNICCGL-UHFFFAOYSA-N |
Boiling Point: | 265.4 °C at 760 mmHg |
Melting Point: | 76-79 °C |
Purity: | 98 % |
Density: | 1.615 g/cm3 |
Appearance: | Cream-colored crystalline powder |
MDL: | MFCD00007281 |
LogP: | 3.18890 |
GHS Hazard Statement: | H302 (97.83%): 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-113354630-A | 5, 6-dihydrobenzo [ h ] quinazoline compound and application thereof | 20210630 |
KR-102178181-B1 | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
KR-20200076655-A | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
CN-113150273-A | Preparation method of nitrogen-containing polymer | 20200122 |
CN-112824398-A | Immunomodulator | 20191120 |
PMID | Publication Date | Title | Journal |
14670490 | 20040101 | Vibrational analysis of mononitro substituted benzamides, benzaldehydes and toluenes. Part II. Transferability of valence force constants | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.95819 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.95819 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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