3,4-Dichloro-5-nitrobenzotrifluoride - CAS 657-02-3
Catalog: |
BB032795 |
Product Name: |
3,4-Dichloro-5-nitrobenzotrifluoride |
CAS: |
657-02-3 |
Synonyms: |
1,2-dichloro-3-nitro-5-(trifluoromethyl)benzene; 1,2-dichloro-3-nitro-5-(trifluoromethyl)benzene |
IUPAC Name: | 1,2-dichloro-3-nitro-5-(trifluoromethyl)benzene |
Description: | 3,4-Dichloro-5-nitrobenzotrifluoride (CAS# 657-02-3) is used in preparation of 2,6-Dichloro-4-trifluoromethylphenylamine. |
Molecular Weight: | 260.00 |
Molecular Formula: | C7H2Cl2F3NO2 |
Canonical SMILES: | C1=C(C=C(C(=C1[N+](=O)[O-])Cl)Cl)C(F)(F)F |
InChI: | InChI=1S/C7H2Cl2F3NO2/c8-4-1-3(7(10,11)12)2-5(6(4)9)13(14)15/h1-2H |
InChI Key: | FZHCKUHPOZBPHB-UHFFFAOYSA-N |
Boiling Point: | 239.3 °C at 760 mmHg |
Density: | 1.638 g/cm3 |
MDL: | MFCD01862035 |
LogP: | 4.44360 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-107311873-B | Method for preparing 2, 6-dichloro-4-trifluoromethylaniline with 99% content | 20170724 |
CN-105985246-A | Diphenyl-ether compound with weeding or insecticidal or bactericidal activity | 20150305 |
CN-105985246-B | Has the diphenyl ether compound of weeding, desinsection or bactericidal activity | 20150305 |
EP-1140735-A1 | Preparation of nuclear chlorinated aromatic compounds | 19981230 |
US-5981789-A | Preparation of nuclear chlorinated aromatic compounds | 19981230 |
Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.9414682 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.9414682 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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