m-Tolylhydrazine hydrochloride - CAS 637-04-7
Catalog: |
BB032246 |
Product Name: |
m-Tolylhydrazine hydrochloride |
CAS: |
637-04-7 |
Synonyms: |
(3-methylphenyl)hydrazine;hydrochloride |
IUPAC Name: | (3-methylphenyl)hydrazine;hydrochloride |
Description: | m-Tolylhydrazine hydrochloride (CAS# 637-04-7) is used in synthesis of 3H-1,2,4-triazol-3-ones via NiCl2-promoted CAScade annulation of hydrazonoyl chlorides and sodium cyanate. |
Molecular Weight: | 158.63 |
Molecular Formula: | C7H11ClN2 |
Canonical SMILES: | CC1=CC(=CC=C1)NN.Cl |
InChI: | InChI=1S/C7H10N2.ClH/c1-6-3-2-4-7(5-6)9-8;/h2-5,9H,8H2,1H3;1H |
InChI Key: | SHTBTGXNVWYODU-UHFFFAOYSA-N |
Boiling Point: | 243.8 ℃ at 760 mmHg |
Density: | g/cm3 |
Appearance: | White to light yellow crystal powde |
MDL: | MFCD00012932 |
LogP: | 2.85590 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
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, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020169682-A1 | Hydrazide derivatives and their specific use as antibacterial agents by controlling acinetobacter baumannii bacterium | 20190219 |
WO-2020169683-A1 | Hydrazonopyrrolidine derivatives for use in preventing and/or treating disorders associated to acinetobacter baumannii | 20190219 |
WO-2019243964-A1 | Pyrazole derivatives as malt1 inhibitors | 20180618 |
EP-3807266-A1 | Pyrazole derivatives as malt1 inhibitors | 20180618 |
US-11040031-B2 | Pyrazole derivatives as MALT1 inhibitors | 20180618 |
Complexity: | 83 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.0610761 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.0610761 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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