4,5-Difluoro-o-phenylenediamine - CAS 76179-40-3
Catalog: |
BB035513 |
Product Name: |
4,5-Difluoro-o-phenylenediamine |
CAS: |
76179-40-3 |
Synonyms: |
4,5-difluorobenzene-1,2-diamine; 4,5-difluorobenzene-1,2-diamine |
IUPAC Name: | 4,5-difluorobenzene-1,2-diamine |
Description: | 4,5-Difluoro-o-phenylenediamine (CAS# 76179-40-3) is a useful research chemical. |
Molecular Weight: | 144.12 |
Molecular Formula: | C6H6F2N2 |
Canonical SMILES: | C1=C(C(=CC(=C1F)F)N)N |
InChI: | InChI=1S/C6H6F2N2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2 |
InChI Key: | PPWRHKISAQTCCG-UHFFFAOYSA-N |
Boiling Point: | 420.5 °C at 760 mmHg |
Density: | 1.253 g/cm3 |
LogP: | 2.29160 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 106 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.04990452 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.04990452 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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Amines and Anilines
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