3,4-Dichlorobenzylamine - CAS 102-49-8
Catalog: |
BB000864 |
Product Name: |
3,4-Dichlorobenzylamine |
CAS: |
102-49-8 |
Synonyms: |
(3,4-dichlorophenyl)methanamine |
IUPAC Name: | (3,4-dichlorophenyl)methanamine |
Description: | 3,4-Dichlorobenzylamine (CAS# 102-49-8) is a useful research chemical. |
Molecular Weight: | 176.04 |
Molecular Formula: | C7H7Cl2N |
Canonical SMILES: | C1=CC(=C(C=C1CN)Cl)Cl |
InChI: | InChI=1S/C7H7Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2 |
InChI Key: | IXHNFOOSLAWRBQ-UHFFFAOYSA-N |
Boiling Point: | 80-82 °C (0.6 mmHg) |
Melting Point: | 32 °C |
Purity: | 98 % |
Density: | 1.32 g/cm3 |
Appearance: | Clear colorless to light yellow liquid |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00008114 |
LogP: | 3.15240 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
6433022 | 19840901 | Benzylamines: synthesis and evaluation of antimycobacterial properties | Journal of medicinal chemistry |
Complexity: | 108 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.9955546 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.9955546 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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