4',5'-Dichloro-2'-nitroacetanilide
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Basic information
- CAS
5462-30-6- Standard SMILES
CC(=O)Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-]- InChIKey
ZEGRPTYRAGSSBH-UHFFFAOYSA-N- Molecular formula
- C8H6Cl2N2O3
- Average molar mass
- 249.05 g/mol
- Monoisotopic mass
- 247.9755474
Names & identifiers
- Preferred name
- 4',5'-Dichloro-2'-nitroacetanilide
- IUPAC
- N-(4,5-dichloro-2-nitrophenyl)acetamide
- English name
- N1-(4,5-DICHLORO-2-NITROPHENYL)ACETAMIDE
- Molecular formula
- C8H6Cl2N2O3
- Molecular weight
- 249.05
Names & synonyms
4',5'-Dichloro-2'-nitroacetanilideRefChem:505865623-488-25462-30-6N-(4,5-Dichloro-2-nitrophenyl)acetamideN1-(4,5-dichloro-2-nitrophenyl)acetamideMFCD00024301SCHEMBL85139449J-546SAC-20341Acetamide, N-(4,5-dichloro-2-nitrophenyl)-D4907
Show more names
4,5-DICHLORO-2-NITROACETANILIDEDichloro-2-nitro-acetanilide,4,5-4,5-DICHLORO-2-NITRO-N-ACETYLANILINEN-(4,5-dichloro-2-nitrophenyl)acetamidN-(4,5-dichloro-2-aminophenyl)Acetamide4,5 DI CHLORO 2-NITRO ACETANILIDE 98%HPLC
SR-01000309463NSC17009Acetamide,N-(4,5-Dichloro-2-aophenyl)N1-(45-DICHLORO-2-NITROPHENYL)ACETAMIDEDTXSID40280465AB9056NSC-17009SBB100512
Database identifiers
- CAS
5462-30-6- PubChem CID
- 226498
- DTXSID
DTXSID40280465- EC Number
- 623-488-2
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Melting point
- 124 · 124-128 °C(lit.)
- Boiling point
- 418.4 · 418.4±45.0 °C(Predicted)
- Density
- 1.573 · 1.573±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 12.29 · 12.29±0.70(Predicted)
- color
- White to Light yellow
- InChI
- InChI=1S/C8H6Cl2N2O3/c1-4(13)11-7-2-5(9)6(10)3-8(7)12(14)15/h2-3H,1H3,(H,11,13)
- InChIKey
- ZEGRPTYRAGSSBH-UHFFFAOYSA-N
- SMILES
- C(NC1=CC(Cl)=C(Cl)C=C1[N+]([O-])=O)(=O)C
- CAS DataBase Reference
- 5462 · 5462-30-6(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2924190090
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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