1,2,3-Trichloro-4-nitrobenzene - CAS 17700-09-3
Catalog: |
BB013266 |
Product Name: |
1,2,3-Trichloro-4-nitrobenzene |
CAS: |
17700-09-3 |
Synonyms: |
1,2,3-trichloro-4-nitrobenzene |
IUPAC Name: | 1,2,3-trichloro-4-nitrobenzene |
Description: | 1,2,3-Trichloro-4-nitrobenzene (CAS# 17700-09-3) is a useful synthetic intermediate that is mainly used as the starting material in the synthesis of third generation quinolone antibacterial drugs, such as Lomefloxacin (L469415, HCl) and Ofloxacin (O245750). 2,3,4-Trichloronitrobenzene is also used as the starting material in the synthesis of Aclonifen (A190200); a compound used as a pesticide and herbicide. |
Molecular Weight: | 226.44 |
Molecular Formula: | C6H2Cl3NO2 |
Canonical SMILES: | C1=CC(=C(C(=C1[N+](=O)[O-])Cl)Cl)Cl |
InChI: | InChI=1S/C6H2Cl3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H |
InChI Key: | BGKIECJVXXHLDP-UHFFFAOYSA-N |
Boiling Point: | 296.2 ℃ at 760 mmHg |
Melting Point: | 55-56 ℃ |
Purity: | 95 % |
Density: | 1.651 g/cm3 |
Appearance: | Needles or light yellow fluffy solid. |
MDL: | MFCD00007063 |
LogP: | 4.07820 |
Vapor Pressure: | 0.000792 [mmHg] |
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-111646907-A | Preparation method of 2, 3-dichloro-6-nitroaniline | 20200618 |
CN-111116380-A | Low-cost method for synthesizing 2, 6-dichloroaniline | 20191231 |
CN-110433808-A | Embedded with metal porous charcoal coats ceramic honey comb integral catalyzer and the preparation method and application thereof | 20190702 |
CN-112098613-A | Quality detection method of wall-broken decoction pieces | 20190618 |
CN-210131631-U | 2, 4, 5-trichloroaniline apparatus for producing | 20190530 |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.915111 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.915111 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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