2-Methyl-3-nitrobenzyl chloride - CAS 60468-54-4
Catalog: |
BB030695 |
Product Name: |
2-Methyl-3-nitrobenzyl chloride |
CAS: |
60468-54-4 |
Synonyms: |
1-(chloromethyl)-2-methyl-3-nitrobenzene |
IUPAC Name: | 1-(chloromethyl)-2-methyl-3-nitrobenzene |
Description: | 2-Methyl-3-nitrobenzyl chloride (CAS# 60468-54-4) is a useful research chemical. |
Molecular Weight: | 185.61 |
Molecular Formula: | C8H8ClNO2 |
Canonical SMILES: | CC1=C(C=CC=C1[N+](=O)[O-])CCl |
InChI: | InChI=1S/C8H8ClNO2/c1-6-7(5-9)3-2-4-8(6)10(11)12/h2-4H,5H2,1H3 |
InChI Key: | XZNDXQGZPOZITR-UHFFFAOYSA-N |
Boiling Point: | 299.7 °C at 760 mmHg |
Melting Point: | 43-46 °C (lit.) |
Purity: | 95 % |
Density: | 1.277 g/cm3 |
Appearance: | Yellow-brown chunks |
Storage: | Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area. |
MDL: | MFCD00007165 |
LogP: | 3.16520 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
KR-20200090359-A | PHARMACEUTICAL COMPOSITION FOR INTRAVENEOUS COMPRISING Fab I INHIBITOR AND PREPARATION METHOD THEREOF | 20190121 |
WO-2020153723-A1 | Injection composition containing fab i inhibitor, and preparation method therefor | 20190121 |
KR-20200009744-A | PHARMACEUTICAL COMPOSITION FOR ORAL COMPRISING Fab I INHIBITOR AND PREPARATION METHOD THEREOF | 20180720 |
WO-2020017756-A1 | Orally administered pharmaceutical composition comprising fab i inhibitors and method for preparing same | 20180720 |
CN-112423751-A | Orally administered pharmaceutical compositions comprising Fab I inhibitors and methods of making the same | 20180720 |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.0243562 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.0243562 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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