CAS 3383-72-0 1-(2-Chloroethoxy)-4-nitrobenzene (HCID 2764587)

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Basic information

CAS: 3383-72-0
Standard SMILES: O=[N+]([O-])c1ccc(OCCCl)cc1
InChIKey: OBCFOPGCTNULTG-UHFFFAOYSA-N
Molecular formula: C8H8ClNO3
Average molar mass: 201.61 g/mol
Monoisotopic mass: 201.0192708

Names & identifiers

Preferred name: 1-(2-Chloroethoxy)-4-nitrobenzene
IUPAC: 1-(2-chloroethoxy)-4-nitrobenzene
English name: 1-(2-Chloroethoxy)-4-nitrobenzene
Molecular formula: C8H8ClNO3
Molecular weight: 201.61

Names & synonyms

1-(2-Chloroethoxy)-4-nitrobenzene3383-72-0DTXSID10377513RefChem:74097DTXCID70328541425-790-84-(2-Chloroethoxy)nitrobenzene2-(4-Nitrophenoxy)ethyl chlorideMFCD006745054-Nitro-1-(2-chloroethoxy)benzeneBenzene, 1-(2-chloroethoxy)-4-nitro-2-[4-nitrophenoxy]ethyl chloride

Show more names

β-chloro-4-nitrophenetholeBETA-CHLORO-4-NITROPHENETHOLE2-CHLOROETHYL-4-NITROPHENYL ETHER1-(2-Chloroethoxy)-4-nitrobenzene,97%1-(2-CHLOROETHOXY)4-NITROBENZENE, 98+%

4-nitro-(2-chloroethoxy)benzene1-(2-chloro-ethoxy)-4-nitro-benzeneSCHEMBL17352272-(4-Nitrophenoxy)ethylchloridSCHEMBL290017881(2-chloroethoxy)-4-nitrobenzene4-Nitrophenyl 2-chloroethyl ether4-(2-chloroethoxy)-1-nitrobenzene

Database identifiers

CAS: 3383-72-0
PubChem CID: 2764587
DTXSID: DTXSID10377513
EC Number: 425-790-8、620-984-0

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 163

Physicochemical properties

Melting point: 67 · 67-68 °C
Boiling point: 204 · 204-206 °C(Press: 25 Torr)
Density: 1.316 · 1.316±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
color: White to Light yellow
InChI: InChI=1S/C8H8ClNO3/c9-5-6-13-8-3-1-7(2-4-8)10(11)12/h1-4H,5-6H2
InChIKey: OBCFOPGCTNULTG-UHFFFAOYSA-N
SMILES: C1(OCCCl)=CC=C([N+]([O-])=O)C=C1
CAS DataBase Reference: 3383 · 3383-72-0(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes: Xi

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H315 (57.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 71 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

Hazard information

Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/8479

Hazard Classes and Categories · 2 items

Skin Irrit. 2 (57.7%)

Skin Irrit. 2 (100%)

Safety data

F: 9-21
wgk: 3
hs_code: 2909309090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Hazard statements: H315-H335-H319
REACH Registrations: Inactive
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P