Basic information
- CAS
31823-19-5- Standard SMILES
CNc1ccc(Cl)cc1C(N)=O- InChIKey
ZUYIIDOKGIRIKI-UHFFFAOYSA-N- Molecular formula
- C8H9ClN2O
- Average molar mass
- 184.62 g/mol
- Monoisotopic mass
- 184.0403406
Names & identifiers
- Preferred name
- Benzamide, 5-chloro-2-(methylamino)-
- IUPAC
- 5-chloro-2-(methylamino)benzamide
- English name
- 5-chloro-2-(methylamino)benzamide
- Molecular formula
- C8H9ClN2O
- Molecular weight
- 184.62
Names & synonyms
5-Chloro-2-(methylamino)benzamide31823-19-5Benzamide, 5-chloro-2-(methylamino)-BRN 0777663DTXSID50185694NSC 120274RefChem:321887DTXCID90108185665-005-8MFCD000314705-chloro-2-(methylamino)-benzamideNSC120274
Show more names
Maybridge3_000198MLS0008336072-Methylamino-5-chlorbenzamidorb3031369SCHEMBL5649788CHEMBL1415561ZUYIIDOKGIRIKI-UHFFFAOYSA-NHMS1431I22
Database identifiers
- CAS
31823-19-5- PubChem CID
- 97387
- DTXSID
DTXSID50185694- ChEMBL
CHEMBL1415561- EC Number
- 665-005-8
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Experimental & physicochemical properties
Solubility>27.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- storage temp.
- 2 · 2-8°C(protect from light)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319
- Precautionary statements
- 301 · P301+P310+P330-P305+P351+P338
- HazardClass
- IRRITANT
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 39 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_class
- IRRITANT
- Hazard statements
- H301-H319
- Precautionary statements
- P301+P310+P330-P305+P351+P338
Chemistry & industry
Suppliers8 total
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
3 records
Compound notes
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