Basic information
- CAS
60676-83-7- Standard SMILES
Nc1c(Cl)cc(C(=O)NC2CC2)cc1Cl- InChIKey
ZOEINVZGXJXJIR-UHFFFAOYSA-N- Molecular formula
- C10H10Cl2N2O
- Average molar mass
- 245.1 g/mol
- Monoisotopic mass
- 244.0170183
Names & identifiers
- Preferred name
- 4-amino-3,5-dichloro-N-cyclopropylbenzamide
- IUPAC
- 4-amino-3,5-dichloro-N-cyclopropylbenzamide
- English name
- 4-amino-3,5-dichloro-N-cyclopropyl-benzamide
- Molecular formula
- C10H10Cl2N2O
- Molecular weight
- 245.11
Names & synonyms
4-amino-3,5-dichloro-N-cyclopropylbenzamideRefChem:517723654-161-260676-83-74-Amino-3,5-Dichloro-N-Cyclopropyl-BenzamideBenzamide, 4-amino-3,5-dichloro-N-cyclopropyl-BENZAMIDE, 4-AMINO-N-CYCLOPROPYL-3,5-DICHLORO-MLS0026940144-Amino-N-cyclopropyl-3,5-dichlorobenzamideMR-1230A 19931BRN 2811202
Show more names
A-19931
N-Cyclopropyl-3,5-dichloro-4-aminobenzamideN-Cyclopropyl-4-amino-3,5-dichlorobenzamideCHEMBL1732966DTXSID40209479ZOEINVZGXJXJIR-UHFFFAOYSA-NHMS3094A13NSC77097Benzamide,5-dichloro-N-cyclopropyl-
Database identifiers
- CAS
60676-83-7- PubChem CID
- 43397
- DTXSID
DTXSID40209479- ChEMBL
CHEMBL1732966- EC Number
- 654-161-2
- Nikkaji
- J149.007I
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 174 · 174-175℃
- Boiling point
- 251 °C · 251°C (rough estimate)
- Density
- 1.45 · 1.45
- refractive index
- 1.55 · 1.5500 (estimate)
- pka
- 13.41 · 13.41±0.20(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 66 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H319
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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