2-Chloro-5-nitroanisole

HCID 70519CAS 1009-36-5

Substructure search Find similar structures

Basic information

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:469423DTXCID6032564213-768-94-Chloro-3-methoxynitrobenzeneMFCD00079739

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-BENZENE2-Chlor-5-nitroanisol2-chloro-5-nitroanisolG4TBP2N4FL2-chloro-5-nitro-anisole2-Chloro-5-nitro anisoleSCHEMBL57125SCHEMBL2837710

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 Å²
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 Statements: 26 · 26-36/37/39-28
Hazard Note: Irritant
TSCA: TSCA listed
HS Code: 29093090 · 29093090

Safety & regulation

GHS classification

GHS Classification · 5 items

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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (90.5%)

Safety data

tsca: TSCA listed
hs_code: 29093090
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