5-Methyl-2-nitrobenzyl chloride - CAS 66424-91-7
Catalog: |
BB033031 |
Product Name: |
5-Methyl-2-nitrobenzyl chloride |
CAS: |
66424-91-7 |
Synonyms: |
2-(chloromethyl)-4-methyl-1-nitrobenzene |
IUPAC Name: | 2-(chloromethyl)-4-methyl-1-nitrobenzene |
Description: | 5-Methyl-2-nitrobenzyl chloride (CAS# 66424-91-7 ) is a useful research chemical. |
Molecular Weight: | 185.61 |
Molecular Formula: | C8H8ClNO2 |
Canonical SMILES: | CC1=CC(=C(C=C1)[N+](=O)[O-])CCl |
InChI: | InChI=1S/C8H8ClNO2/c1-6-2-3-8(10(11)12)7(4-6)5-9/h2-4H,5H2,1H3 |
InChI Key: | BWPZDLVOJNBEKI-UHFFFAOYSA-N |
Boiling Point: | 292.3 ℃ at 760 mmHg |
Melting Point: | 41-43 ℃(lit.) |
Purity: | 95 % |
Density: | 1.277 g/cm3 |
Appearance: | Yellow to tan solid |
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 |
WO-2021143924-A1 | Boric acid derivative | 20200119 |
AU-2018205258-A1 | Methods for implanting and reversing stimuli-responsive implants | 20170105 |
CA-3053451-A1 | Methods for implanting and reversing stimuli-responsive implants | 20170105 |
CN-110381854-A | Method for being implanted into and reversing stimulating responsive implantation material | 20170105 |
EP-3565484-A1 | Methods for implanting and reversing stimuli-responsive implants | 20170105 |
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: | 2.5 |
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