3-Bromo-2-nitroanisole

HCID 258734CAS 500298-30-6

Substructure search Find similar structures

Basic information

Standard SMILES: COc1cccc(Br)c1[N+](=O)[O-]
InChIKey: ORSPVBUIPTYLLO-UHFFFAOYSA-N
Molecular formula: C7H6BrNO3
Average molar mass: 232.03 g/mol
Monoisotopic mass: 230.95310515

Names & identifiers

Preferred name: 3-Bromo-2-nitroanisole
IUPAC: 1-bromo-3-methoxy-2-nitrobenzene
English name: 1-Bromo-3-methoxy-2-nitrobenzene
Molecular formula: C7H6BrNO3
Molecular weight: 232.03

Names & synonyms

3-Bromo-2-nitroanisole500298-30-6DTXSID10293244RefChem:277357DTXCID80244384679-555-11-Bromo-3-methoxy-2-nitrobenzeneMFCD111010442-Bromo-6-methoxynitrobenzeneNSC-88011Benzene, 1-bromo-3-methoxynitro-bromonitroanisol

Show more names

ArgatrobanImpurity933-bromo-2-nitroaisole2-Nitro-3-bromoanisoleEltrombopag Impurity 383-Bromo-2-nitroanisole >3-Bromo-2-nitroanisole 98%Benzene, 1-bromo-3-methoxy-2-nitro-

3-bromo-1-methoxy-2-nitrobenzeneNSC880116EZ25YP2KZNCIOpen2_005349SCHEMBL103199SCHEMBL31549911ORSPVBUIPTYLLO-UHFFFAOYSA-N1-bromo-3-methoxy-2-nitro-benzene

Database identifiers

CAS: 500298-30-6
PubChem CID: 258734
DTXSID: DTXSID10293244
UNII: 6EZ25YP2KZ
EC Number: 679-555-1
Nikkaji: J3.152.116E

Properties

Computed structural properties

XLogP: 2.4
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: 72 to · 72.0 to 76.0 °C
Boiling point: 131 °C/3mmHg · 131°C/3mmHg(lit.)
Density: 1.64 · 1.640±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
color: White to Light yellow to Green
InChI: InChI=1S/C7H6BrNO3/c1-12-6-4-2-3-5(8)7(6)9(10)11/h2-4H,1H3
InChIKey: ORSPVBUIPTYLLO-UHFFFAOYSA-N
SMILES: C1(Br)=CC=CC(OC)=C1[N+]([O-])=O
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
HS Code: 2909309090 · 2909309090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2909309090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313