Basic information
- CAS
25939-05-3- Standard SMILES
ClC(=NNc1c(Cl)cc(Cl)cc1Cl)c1ccccc1- InChIKey
QVMATSPQIBFRPZ-UHFFFAOYSA-N- Molecular formula
- C13H8Cl4N2
- Average molar mass
- 334 g/mol
- Monoisotopic mass
- 331.944159
Names & identifiers
- Preferred name
- N-(2,4,6-Trichlorophenyl)benzenecarbohydrazonoyl chloride
- IUPAC
- N-(2,4,6-trichlorophenyl)benzenecarbohydrazonoyl chloride
- English name
- N-(2,4,6-Trichlorophenyl)benzenecarbohydrazonoylchloride
- Molecular formula
- C13H8Cl4N2
- Molecular weight
- 334.03
Names & synonyms
25939-05-3N-(2,4,6-Trichlorophenyl)benzenecarbohydrazonoyl chlorideCID 33246benzoyl chloride (2,4,6-trichlorophenyl)hydrazoneorb1739910DTXSID9042174NS00126948U-27415BanomiteBenzoyl chloride trichlorophenylhydrazoneN-(2,4,6-Trichlorophenyl)benzenecarbohydrazonoylα-[2-(2,4,6-Trichlorophenyl)hydrazono]benzyl chloride
Show more names
N-(2,4,6-Trichlorophenyl)benzenecarbohydrazonoylchlorideBenzenecarbohydrazonoyl chloride, N-(2,4,6-trichlorophenyl)-N-(2,4,6-Trichlorophenyl)benzenecarbohydrazonic acid chlorideamino-[chloro(phenyl)methylidene]-(2,4,6-trichlorophenyl)ammonium
Database identifiers
- CAS
25939-05-3- PubChem CID
- 33246
- DTXSID
DTXSID9042174
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 24.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Melting point
- 98 °C · 98°C
- Boiling point
- 490.16 °C · 490.16°C (rough estimate)
- Density
- 1.5087 · 1.5087 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- 13.09 · 13.09±0.10(Predicted)
- FDA UNII
- 0 NIX65D7 · JY0NIX65D7
- EPA Substance Registry System
- N-(2,4,6-Trichlorophenyl)benzenecarbohydrazonoyl chloride (25939-05-3)
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 718 mg/kg KSRNAM 6,2417,72
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 orl-rat: 718 mg/kg KSRNAM 6,2417,72
Chemistry & industry
Suppliers7 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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