Basic information
- CAS
89-39-4- Standard SMILES
COc1ccc(OC)c([N+](=O)[O-])c1- InChIKey
UPTOWXNJLZJTGD-UHFFFAOYSA-N- Molecular formula
- C8H9NO4
- Average molar mass
- 183.16 g/mol
- Monoisotopic mass
- 183.05315777
Names & identifiers
- Preferred name
- 2,5-Dimethoxynitrobenzene
- IUPAC
- 1,4-dimethoxy-2-nitrobenzene
- English name
- 1,4-Dimethoxy-2-nitrobenzene
- Molecular formula
- C8H9NO4
- Molecular weight
- 183.16
Names & synonyms
1,4-Dimethoxy-2-nitrobenzene89-39-42,5-DimethoxynitrobenzeneBenzene, 1,4-dimethoxy-2-nitro-26K58PSU0GNitrohydroquinone dimethyl etherNSC 1321NSC-1321EINECS 201-903-4NSC-37986AI3-24179DTXSID5058987
Show more names
NITRODIMETHYLHYDROQUINONE1,4-Dimethoxy-2-nitrobenzol1,4-DIMETHOXY-3-NITROBENZENE2-Nitro-1,4-dimethoxybenzene2,5-Dimethoxy-1-nitrobenzene1-NITRO-2,5-DIMETHOXYBENZENE1,4-dimethoxy-2-nitro-benzen1,4-Dimethoxy-2-nitrobenzene>
EC 201-903-4NITRO-P-METHOXYANISOLE, O-RefChem:444470DTXCID3048655201-903-4MFCD000242111.4-Dimethoxy-2-nitrobenzene1,4-dimethoxy-2-nitro-benzene
Database identifiers
- CAS
89-39-4- PubChem CID
- 66639
- DTXSID
DTXSID5058987- UNII
- 26K58PSU0G
- EC Number
- 201-903-4
- Nikkaji
- J149.778B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 72 °C · 72 °C
- Boiling point
- 169 °C · 169 °C / 13mmHg
- Density
- 1.1666 · 1.1666
- vapor pressure
- 0.16 Pa · 0.16Pa at 20℃
- refractive index
- 1.531 · 1.5310 (estimate)
- storage temp.
- Store at room temperature
- form
- powder to crystal
- color
- White to Yellow to Orange
- LogP
- 1.88 at · 1.88 at 23℃ and pH7
- CAS DataBase Reference
- 89 · 89-39-4(CAS DataBase Reference)
- FDA UNII
- 26 K58PSU0G · 26K58PSU0G
- EPA Substance Registry System
- 1 · Benzene, 1,4-dimethoxy-2-nitro- (89-39-4)
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, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 1,4-dimethoxy-2-nitrobenzene (EC: 201-903-4)
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2909309090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319-H412
- REACH Registrations
- Active
- Precautionary statements
- P273-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,4-dimethoxy-2-nitro-: INACTIVE
Applications
Uses1,4-DIMETHOXY-2-NITROBENZENE is used as a dye intermediate. Used in the production of black salt ANS.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers57 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
2 records
Compound notes
Loading…