Basic information
- CAS
6967-11-9- Standard SMILES
Cc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1- InChIKey
HZUYHCXRFOCYRF-UHFFFAOYSA-N- Molecular formula
- C16H16N2O3
- Average molar mass
- 284.31 g/mol
- Monoisotopic mass
- 284.11609238
Names & identifiers
- Preferred name
- 2',4'-Dimethyl-3-nitro-4-toluanilide
- IUPAC
- N-(2,4-dimethylphenyl)-4-methyl-3-nitrobenzamide
- English name
- 2',4'-Dimethyl-3-nitro-4-toluanilide
- Molecular formula
- C16H16N2O3
- Molecular weight
- 284.31
Names & synonyms
2',4'-Dimethyl-3-Nitro-4-ToluanilideRefChem:439436654-682-5n-(2,4-dimethylphenyl)-4-methyl-3-nitrobenzamide6967-11-9NSC68263Oprea1_672401DTXSID70989813NSC-68263STL362922AKOS000436715CCG-340254
Show more names
Benzamide, N-(2,4-dimethylphenyl)-4-methyl-3-nitro-
ST011084N-(2,4-dimethylphenyl)(4-methyl-3-nitrophenyl)carboxamideN-(2,4-Dimethylphenyl)-4-methyl-3-nitrobenzene-1-carboximidic acid
Database identifiers
- CAS
6967-11-9- PubChem CID
- 249685
- DTXSID
DTXSID70989813- EC Number
- 654-682-5
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 393
Physicochemical properties
- Boiling point
- 370.8 · 370.8±42.0 °C(Predicted)
- Density
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- pka
- 12.55 · 12.55±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H400
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H319-H400
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
ASDI-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…