Aklomide
Basic information
- CAS
3011-89-0- Standard SMILES
NC(=O)c1ccc([N+](=O)[O-])cc1Cl- InChIKey
GFGSZUNNBQXGMK-UHFFFAOYSA-N- Molecular formula
- C7H5ClN2O3
- Average molar mass
- 200.58 g/mol
- Monoisotopic mass
- 199.9988697
Overview
2-chloro-4-nitrobenzamide is an organohalogen compound and a carbonyl compound.
Names & identifiers
- Preferred name
- Aklomide
- IUPAC
- 2-chloro-4-nitrobenzamide
- English name
- 2-Chloro-4-nitrobenzamide
- Molecular formula
- C7H5ClN2O3
- Molecular weight
- 200.58
Names & synonyms
aklomide2-Chloro-4-nitrobenzamide3011-89-0Benzamide, 2-chloro-4-nitro-AklomidumAclomidaDTXSID3041405NSC-191832B0E341RA20DTXCID1021405RefChem:553217221-143-7
Show more names
AkomideAklomide StandardC10049000 Aklomidecomponent of Novastat
ClomideAklomixAlkomideNovastatMFCD00017119component of Aklomixcomponent of Novastat-W2-CHLORO-4-NITRO BENZAMIDE
Database identifiers
- CAS
3011-89-0- PubChem CID
- 2075
- DTXSID
DTXSID3041405- ChEMBL
CHEMBL1450565- ChEBI
CHEBI:109542- UNII
- B0E341RA20
- EC Number
- 221-143-7
- Nikkaji
- J7.662G
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Melting point
- 171 · 171-173°C
- Boiling point
- 335.8 · 335.8±32.0 °C(Predicted)
- Density
- 1.52 · 1.520±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 250 mg/mL · DMSO: 250 mg/mL (1246.39 mM)
- pka
- 14.39 · 14.39±0.50(Predicted)
- form
- Solid
- color
- White to Light yellow
- BRN
- 1966537 · 1966537
- Major Application
- forensics and toxicologypharmaceutical (small molecule)
- InChI
- 1S/C7H5ClN2O3/c8-6-3-4(10(12)13)1-2-5(6)7(9)11/h1-3H,(H2,9,11)
- InChIKey
- GFGSZUNNBQXGMK-UHFFFAOYSA-N
- SMILES
- NC(=O)c1ccc(cc1Cl)[N+]([O-])=O
- CAS DataBase Reference
- 3011 · 3011-89-0(CAS DataBase Reference)
- FDA UNII
- 0 E341RA20 · B0E341RA20
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
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Benzamide, 2-chloro-4-nitro-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2924297099
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS06,GHS07
- hazard_code
- Xn
- hazard_note
- Harmful
- safety_code
- 26
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Usesantineoplastic, antimetabolite
Additional notes
DefinitionChEBI: 2-chloro-4-nitrobenzamide is an organohalogen compound and a carbonyl compound.
Related reactions
5 records
Compound notes
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