2,6-Dichloro-3-nitrotoluene - CAS 29682-46-0
Catalog: |
BB020279 |
Product Name: |
2,6-Dichloro-3-nitrotoluene |
CAS: |
29682-46-0 |
Synonyms: |
1,3-dichloro-2-methyl-4-nitrobenzene |
IUPAC Name: | 1,3-dichloro-2-methyl-4-nitrobenzene |
Description: | 2,6-Dichloro-3-nitrotoluene (CAS# 29682-46-0) is a useful research chemical. |
Molecular Weight: | 206.03 |
Molecular Formula: | C7H5Cl2NO2 |
Canonical SMILES: | CC1=C(C=CC(=C1Cl)[N+](=O)[O-])Cl |
InChI: | InChI=1S/C7H5Cl2NO2/c1-4-5(8)2-3-6(7(4)9)10(11)12/h2-3H,1H3 |
InChI Key: | WBNZUUIFTPNYRN-UHFFFAOYSA-N |
Boiling Point: | 293.8 ℃ at 760 mmHg |
Density: | 1.456 g/cm3 |
Appearance: | Light yellow to light green solid |
MDL: | MFCD00024185 |
LogP: | 3.73320 |
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 |
CN-112266326-A | Preparation method of dichlorotoluene nitride intermediate | 20201110 |
WO-2020097396-A1 | Benzimidazole derivatives and aza-benzimidazole derivatives as janus kinase 2 inhibitors and uses thereof | 20181107 |
EP-3876930-A1 | Benzimidazole derivatives and aza-benzimidazole derivatives as janus kinase 2 inhibitors and uses thereof | 20181107 |
JP-2015067577-A | Process for producing polycyclic phenol derivatives | 20130930 |
US-8486950-B2 | Janus kinase inhibitor compounds and methods | 20090611 |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.9697338 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.9697338 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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