Basic information
- CAS
943-15-7- Standard SMILES
Cc1ccc(C(C)C)cc1[N+](=O)[O-]- InChIKey
DRKFWQDBPGTSOO-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- Benzene, 1-methyl-4-(1-methylethyl)-2-nitro-
- IUPAC
- 1-methyl-2-nitro-4-propan-2-ylbenzene
- English name
- 2-Nitro-4-cymene
- Molecular formula
- C10H13NO2
- Molecular weight
- 179.22
Names & synonyms
2-Nitro-p-cymeneBenzene, 1-methyl-4-(1-methylethyl)-2-nitro-p-Cymene, 2-nitro-2-Nitro-para-cymeneNSC 9839EINECS 213-397-2AI3-08866DTXSID90613361-Methyl-4-(1-methylethyl)-2-nitrobenzeneRefChem:562522DTXCID5048928213-397-2
Show more names
2-Nitro-p-cymene>2-Nitro-4-cymene,95%2-Nitro-4-cymene,90%,tech.2-nitro-4-isopropyltoluene
943-15-74-Isopropyl-1-methyl-2-nitrobenzene2-Nitro-4-cymene4-Isopropyl-2-nitrotoluene1-methyl-2-nitro-4-propan-2-ylbenzeneMFCD00007176AE93ZW3RQF1-methyl-2-nitro-4-(propan-2-yl)benzene
Database identifiers
- CAS
943-15-7- PubChem CID
- 70340
- DTXSID
DTXSID9061336- UNII
- AE93ZW3RQF
- EC Number
- 213-397-2
- Nikkaji
- J236.479D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 1 °C · 1°C (estimate)
- Boiling point
- 134 °C · 134 °C / 15mmHg
- Density
- 1.07 g/mL · 1.07 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.528(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- form
- clear liquid
- color
- Light yellow to Yellow to Orange
- InChI
- 1S/C10H13NO2/c1-7(2)9-5-4-8(3)10(6-9)11(12)13/h4-7H,1-3H3
- InChIKey
- DRKFWQDBPGTSOO-UHFFFAOYSA-N
- SMILES
- CC(C)c1ccc(C)c(c1)[N+]([O-])=O
- FDA UNII
- 93 ZW3RQF · AE93ZW3RQF
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 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2904200090
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36/37/39-26
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H319
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P280-P337+P313-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-methyl-4-(1-methylethyl)-2-nitro-: ACTIVE
Applications
Uses2-Nitro-p-cymene was used in the synthesis of 5 -isopropyl-8-methylquinoline. It was used as mediator solvent in perchlorate ion-selective electrode with poly(vinyl chloride) matrix membrane on conductive silver-epoxy composite.
General DescriptionReduction products of 2-nitro-p-cymene are significant dye intermediates.
Upstream & downstream products
Upstream raw materials
Suppliers66 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海策嵘生物科技有限公司[email protected]
天津瑞德法莫科技有限公司13821803402 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
常州市阿尔捷化工商贸有限公司13813686894 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…