Basic information
- CAS
612-45-3- Standard SMILES
CC(=O)Nc1ccc(C)cc1[N+](=O)[O-]- InChIKey
LQZGUJSFLJIJKA-UHFFFAOYSA-N- Molecular formula
- C9H10N2O3
- Average molar mass
- 194.19 g/mol
- Monoisotopic mass
- 194.06914219
Names & identifiers
- Preferred name
- Acetamide, N-(4-methyl-2-nitrophenyl)-
- IUPAC
- N-(4-methyl-2-nitrophenyl)acetamide
- English name
- 4'-methyl-2'-nitroacetanilide
- Molecular formula
- C9H10N2O3
- Molecular weight
- 194.19
Names & synonyms
612-45-3p-Acetotoluidide, 2'-nitro-Acetamide, N-(4-methyl-2-nitrophenyl)-4'-Methyl-2'-nitroacetanilideNSC 9826EINECS 210-312-0RefChem:551737210-312-0N-(4-Methyl-2-nitrophenyl)acetamide4-Methyl-2-nitro-N-acetylbenzeneamine29111-73-74-(N-Acetyl)amino-3-nitrotoluene
Show more names
N-(4-methyl-2-nitro-phenyl)ethanamide
2-Nitro-4-methylacetanilide2'-Nitro-p-acetotoluidide4-methyl-2-nitroacetanilideMFCD00024538Carbamic acid,(4-methyl-2-nitrophenyl)-, methyl ester (9CI)NSC-9826N-(4-Methyl-2-nitro-phenyl)acetamideNSC9826
Database identifiers
- CAS
612-45-3- PubChem CID
- 69162
- DTXSID
DTXSID8060610- UNII
- SLF9L6NE3W
- EC Number
- 210-312-0
- Nikkaji
- J37.760K
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 237
Experimental & physicochemical properties
LogP1.49
Physicochemical properties
- Melting point
- 96 °C · 96 °C
- Boiling point
- 330.62 °C · 330.62°C (rough estimate)
- Density
- 1.2934 · 1.2934 (rough estimate)
- refractive index
- 1.56 · 1.5600 (estimate)
- pka
- 13.84 · 13.84±0.70(Predicted)
- Water Solubility
- 2.2 g/L · 2.2g/L(room temperature)
- FDA UNII
- 9 L6NE3W · SLF9L6NE3W
- EPA Substance Registry System
- 2 · 2-Nitro-4-methylacetanilide (612-45-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetamide, N-(4-methyl-2-nitrophenyl)-: INACTIVE
Applications
Uses5-Methylbenzotriazole intermediate.
Upstream & downstream products
Downstream products
Suppliers13 total
安徽合诺生物科技有限公司0555-2761852
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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