2-Chloro-5-nitroanisole
Basic information
- CAS
1009-36-5- Standard SMILES
COc1cc([N+](=O)[O-])ccc1Cl- InChIKey
JXIJUAWSDBACEB-UHFFFAOYSA-N- Molecular formula
- C7H6ClNO3
- Average molar mass
- 187.58 g/mol
- Monoisotopic mass
- 187.0036207
Names & identifiers
- Preferred name
- 2-Chloro-5-nitroanisole
- IUPAC
- 1-chloro-2-methoxy-4-nitrobenzene
- English name
- 2-Chloro-5-nitroanisole
- Molecular formula
- C7H6ClNO3
- Molecular weight
- 187.58
Names & synonyms
2-Chloro-5-nitroanisole1009-36-51-chloro-2-methoxy-4-nitrobenzene2-Methoxy-4-nitrochlorobenzeneBenzene, 1-chloro-2-methoxy-4-nitro-EINECS 213-768-9DTXSID5061407RefChem:469423DTXCID6032564213-768-9MFCD000797394-Chloro-3-methoxynitrobenzene
Show more names
2-METHOXY-4-NIT2-Chloro-5-nitropheno2-Chloro-5-nitroanisole >2-chloro-5-nitrobenzyl ether1-chloro-2-methoxy-4-nitro-benzen2-Chloro-5-nitrophenyl methyl ether
1-CHLORO-2-METHOXY-4-NITRO-BENZENEZINC2004522ZINC020045222-Chlor-5-nitroanisol2-chloro-5-nitroanisolG4TBP2N4FL2-chloro-5-nitro-anisole2CHLORO5NITROANISOL
Database identifiers
- CAS
1009-36-5- PubChem CID
- 70519
- DTXSID
DTXSID5061407- UNII
- G4TBP2N4FL
- EC Number
- 213-768-9
- Nikkaji
- J160.880K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Melting point
- 81 · 81-83°C
- Boiling point
- 287.3 · 287.3±20.0 °C(Predicted)
- Density
- 1.366 · 1.366±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform, Ethyl Acetate
- form
- Solid
- color
- Brown
- CAS DataBase Reference
- 1009 · 1009-36-5(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · 2-Chloro-5-nitroanisole (1009-36-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xi,N,Xn
- Risk Statements
- 36 · 36/37/38-51-22-36/38
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 (90.5%): 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (90.5%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2909309090
- risk_code
- 36/37/38-51-22-36/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,N,Xn
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-28
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-chloro-2-methoxy-4-nitro-: INACTIVE
Applications
Uses2-Chloro-5-nitroanisole (cas# 1009-36-5) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
100 records
Compound notes
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