Basic information
- CAS
552-32-9- Standard SMILES
CC(=O)Nc1ccccc1[N+](=O)[O-]- InChIKey
BUNFNRVLMKHKIT-UHFFFAOYSA-N- Molecular formula
- C8H8N2O3
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.05349212
Names & identifiers
- Preferred name
- 2'-Nitroacetanilide
- IUPAC
- N-(2-nitrophenyl)acetamide
- English name
- 2'-Nitroacetanilide
- Molecular formula
- C8H8N2O3
- Molecular weight
- 180.16
Names & synonyms
N-(2-Nitrophenyl)acetamide552-32-92'-NITROACETANILIDEo-NitroacetanilideAcetamide, N-(2-nitrophenyl)-Acetanilide, 2'-nitro-MFCD00016991Q4KJC83992NSC-1313UNII-Q4KJC83992o-nitroacetoanilideNSC 1313
Show more names
2-NITROACETANILIDEAURORA 5474acetanilide,2’-nitro-2'-Nitroacetanilide>Acetanilide, 2'-nitro-n-(2-nitrophenyl)-acetamid2''-NITROACETANILIDE, 98+%
EINECS 209-009-6o-AcetylaminonitrobenzeneN-acetyl-2-nitroanilineAI3-08843Maybridge1_000147MixCom1_000279SCHEMBL733777N-(2-Nitrophenyl)acetamide #
Database identifiers
- CAS
552-32-9- PubChem CID
- 11090
- DTXSID
DTXSID4060282- ChEMBL
CHEMBL3601315- UNII
- Q4KJC83992
- EC Number
- 209-009-6
- Nikkaji
- J10.497C
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 212
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.05
Physicochemical properties
- Melting point
- 90 · 90-94 °C
- Boiling point
- 312.97 °C · 312.97°C (rough estimate)
- Density
- 1.42 · 1.42
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- form
- powder to crystal
- pka
- 13.83 · 13.83±0.70(Predicted)
- color
- Light yellow to Yellow to Orange
- Water Solubility
- 2.2 g/L · 2.2g/L(room temperature)
- Merck
- 14 · 14,6580
- BRN
- 1959178 · 1959178
- Stability
- Stable. Incompatible with strong oxidizing agents.
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Acetamide, N-(2-nitrophenyl)-
Acetamide, N-(2-nitrophenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- hs_code
- 29242990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26-37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetamide, N-(2-nitrophenyl)-: INACTIVE
Applications
Uses2'-NITROACETANILIDE is used for dyes and other organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers69 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
Related reactions
9 records
Compound notes
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