2,5-Difluoro-4-nitrotoluene - CAS 141412-60-4
Catalog: |
BB009177 |
Product Name: |
2,5-Difluoro-4-nitrotoluene |
CAS: |
141412-60-4 |
Synonyms: |
1,4-difluoro-2-methyl-5-nitrobenzene; 1,4-difluoro-2-methyl-5-nitrobenzene |
IUPAC Name: | 1,4-difluoro-2-methyl-5-nitrobenzene |
Description: | 2,5-Difluoro-4-nitrotoluene (CAS# 141412-60-4) is a useful research chemical. |
Molecular Weight: | 173.12 |
Molecular Formula: | C7H5F2NO2 |
Canonical SMILES: | CC1=CC(=C(C=C1F)[N+](=O)[O-])F |
InChI: | InChI=1S/C7H5F2NO2/c1-4-2-6(9)7(10(11)12)3-5(4)8/h2-3H,1H3 |
InChI Key: | ABWWQMGGJXKGBL-UHFFFAOYSA-N |
Boiling Point: | 251 °C |
Density: | 1.374 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD06200905 |
LogP: | 2.70460 |
GHS Hazard Statement: | H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] |
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, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112851493-A | Preparation method of 2,4, 5-trifluorophenylacetic acid | 20201110 |
JP-2020506197-A | Novel heterocyclic compound, production method thereof and pharmaceutical composition containing the same | 20170207 |
KR-102084772-B1 | Novel hetero-ring compound, its preparation method, and pharmaceutical composition comprising the same | 20170207 |
KR-20180091770-A | Novel hetero-ring compound, its preparation method, and pharmaceutical composition comprising the same | 20170207 |
TW-201831463-A | Novel heterocyclic compound, preparation method thereof and pharmaceutical composition containing the same | 20170207 |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.02883473 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.02883473 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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