2-Chloro-6-nitrotoluene - CAS 83-42-1
Catalog: |
BB037026 |
Product Name: |
2-Chloro-6-nitrotoluene |
CAS: |
83-42-1 |
Synonyms: |
1-chloro-2-methyl-3-nitrobenzene |
IUPAC Name: | 1-chloro-2-methyl-3-nitrobenzene |
Description: | 2-Chloro-6-nitrotoluene (CAS# 83-42-1) is a useful research chemical compound. |
Molecular Weight: | 171.58 |
Molecular Formula: | C7H6ClNO2 |
Canonical SMILES: | CC1=C(C=CC=C1Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C7H6ClNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3 |
InChI Key: | XCSNRORTQRKCHB-UHFFFAOYSA-N |
Boiling Point: | 238 °C |
Density: | 1.324 g/cm3 |
Appearance: | Yellow to light brown crystalline mass |
MDL: | MFCD00007205 |
LogP: | 3.07980 |
GHS Hazard Statement: | H302 (88%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P273, P280, P301+P312, P302+P352, P305+P351+P338, P314, P321, P330, P332+P313, P337+P313, P362, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112552224-A | Synthesis method of 4-hydroxyindole | 20201230 |
CN-111995577-A | Synthetic method of 4-fluoro indazole 3-carbonitrile or derivatives thereof | 20200909 |
CN-112047858-A | Trapping device and process for producing 2, 6-dichlorobenzonitrile | 20200903 |
CN-112047858-B | Trapping device and process for producing 2, 6-dichlorobenzonitrile | 20200903 |
CN-111689909-A | Preparation method of herbicide pyrithiobac-sodium | 20200628 |
PMID | Publication Date | Title | Journal |
21522365 | 20110212 | 1-Chloro-2-methyl-3-nitro-benzene | Acta crystallographica. Section E, Structure reports online |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.0087061 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.0087061 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Nitrogen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS