2,4-Dichlorobenzylamine - CAS 95-00-1
Catalog: |
BB041599 |
Product Name: |
2,4-Dichlorobenzylamine |
CAS: |
95-00-1 |
Synonyms: |
(2,4-dichlorophenyl)methanamine |
IUPAC Name: | (2,4-dichlorophenyl)methanamine |
Description: | 2,4-Dichlorobenzylamine (CAS# 95-00-1) is a useful research chemical compound. |
Molecular Weight: | 176.04 |
Molecular Formula: | C7H7Cl2N |
Canonical SMILES: | C1=CC(=C(C=C1Cl)Cl)CN |
InChI: | InChI=1S/C7H7Cl2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2 |
InChI Key: | SJUKJZSTBBSGHF-UHFFFAOYSA-N |
Boiling Point: | 83-84 °C (5 torr) |
Density: | 1.3 g/cm3 |
Appearance: | Clear colourless liquid |
Storage: | Keep in dark place, Inert atmosphere, 2-8 °C |
MDL: | MFCD00008109 |
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 |
Publication Number | Title | Priority Date |
CN-113185504-A | Furan-linked 1,3, 4-oxadiazole formamide compounds and preparation method and application thereof | 20210512 |
CN-113214236-A | Preparation method of thiophene bi-1, 3, 4-oxadiazole formamide compounds, products and application thereof | 20210512 |
CN-111875515-A | Method for generating amide by catalyzing primary amine with metal complex | 20200904 |
CN-111978198-A | Lapterostigmatic acid derivative and preparation method and application thereof | 20200813 |
WO-2020219904-A1 | Heterocyclic inhibitors of tyrosine kinase | 20190425 |
PMID | Publication Date | Title | Journal |
19191712 | 20090306 | Reductions of aliphatic and aromatic nitriles to primary amines with diisopropylaminoborane | The Journal of organic chemistry |
15903330 | 20050527 | Absolute asymmetric photocyclization of isopropylbenzophenone derivatives using a cocrystal approach involving single-crystal-to-single-crystal transformation | The Journal of organic chemistry |
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: | 2.3 |
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