Benzene, 1-chloro-2,4-dimethoxy-5-nitro-
Basic information
- CAS
119-21-1- Standard SMILES
COc1cc(OC)c([N+](=O)[O-])cc1Cl- InChIKey
MEIDXJUMYYOXHN-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO4
- Average molar mass
- 217.6 g/mol
- Monoisotopic mass
- 217.0141854
Names & identifiers
- Preferred name
- Benzene, 1-chloro-2,4-dimethoxy-5-nitro-
- IUPAC
- 1-chloro-2,4-dimethoxy-5-nitrobenzene
- English name
- 1-chloro-2,4-dimethoxy-5-nitrobenzene
- Molecular formula
- C8H8ClNO4
- Molecular weight
- 217.61
Names & synonyms
1-Chloro-2,4-dimethoxy-5-nitrobenzene119-21-15-Chloro-2,4-dimethoxynitrobenzeneBENZENE, 1-CHLORO-2,4-DIMETHOXY-5-NITRO-XNE3D7GP2SBenzene, 5-chloro-1-nitro-2,4-dimethoxy-EINECS 204-306-7NSC 50662BRN 2331671NSC-50662DTXSID70594824-06-00-05694 (Beilstein Handbook Reference)
Show more names
5-CHLORO-NITRO-2,4-DIMETHOXYBENZENE6-Chloro-4-nitroresorcinol dimethyl ether
RefChem:562431DTXCID6033459204-306-7MFCD00024316NSC506622,4-DIMETHOXY-5-CHLORONITROBENZENEBenzene,1-chloro-2,4-dimethoxy-5-nitro-UNII-XNE3D7GP2S
Database identifiers
- CAS
119-21-1- PubChem CID
- 8383
- DTXSID
DTXSID7059482- UNII
- XNE3D7GP2S
- EC Number
- 204-306-7
- Nikkaji
- J54.872C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 208
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 222.3 °C · 222.3°C (rough estimate)
- Density
- 1.4413 · 1.4413 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- FDA UNII
- 3 D7GP2S · XNE3D7GP2S
- EPA Substance Registry System
- 1 · Benzene, 1-chloro-2,4-dimethoxy-5-nitro- (119-21-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
- 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.
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-chloro-2,4-dimethoxy-5-nitro-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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