Basic information
- CAS
99584-85-7- Standard SMILES
Cc1cc(C(N)=O)ccc1[N+](=O)[O-]- InChIKey
BCAAGQMIPKPDDX-UHFFFAOYSA-N- Molecular formula
- C8H8N2O3
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.05349212
Names & identifiers
- Preferred name
- 3-Methyl-4-nitrobenzamide
- IUPAC
- 3-methyl-4-nitrobenzamide
- English name
- 3-METHYL-4-NITROBENZAMIDE
- Molecular formula
- C8H8N2O3
- Molecular weight
- 180.16
Names & synonyms
3-Methyl-4-nitrobenzamide99584-85-7Benzamide, 3-methyl-4-nitro-DTXSID40344314RefChem:94769DTXCID10295389635-587-8BCAAGQMIPKPDDX-UHFFFAOYSA-N3-methyl-4-nitro-benzamideMFCD00031468Oprea1_7468793-Methyl-4-nitrobenzamide #
Show more names
4-Nitro-m-toluamide3-METHYL-4-NITROBENZAMIDE, 97%%
SCHEMBL2767396SBB089646STK004489ZB0049AKOS000283187AS-76196DB-057790CS-0316770
Database identifiers
- CAS
99584-85-7- PubChem CID
- 595900
- DTXSID
DTXSID40344314- EC Number
- 635-587-8
Properties
Computed structural properties
- XLogP
- 1.7
- 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
- 224
Physicochemical properties
- Melting point
- 158 · 158-160°C
- Boiling point
- 321 ℃ · 321℃
- Density
- 1.322 · 1.322
- Flash point
- 148 ℃ · 148℃
- storage temp.
- 2 · 2-8°C
- pka
- 15.14 · 15.14±0.50(Predicted)
- Water Solubility
- Soluble in alcohol, slightly soluble in hot water.
- BRN
- 2264048 · 2264048
- CAS DataBase Reference
- 99584 · 99584-85-7(CAS DataBase Reference)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Warning
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
Safety & regulation
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS06
- safety_code
- 26-36/37/39
- Hazard statements
- H301-H315-H319-H335
- Precautionary statements
- P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses3-Methyl-4-nitrobenzamide is used as synthetic organic intermediates.
Upstream & downstream products
Downstream products
Suppliers17 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
成都效佳科技有限公司15902830537 · [email protected]
大连金点生物科技有限公司0411-0411-00000000 13644282108 · [email protected]
Related reactions
3 records
Compound notes
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