4-Bromo-5-nitroveratrole

HCID 170968

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Basic information

CAS: 51072-66-3
Standard SMILES: COc1cc(Br)c([N+](=O)[O-])cc1OC
InChIKey: DGUDEQARXVYDBS-UHFFFAOYSA-N
Molecular formula: C8H8BrNO4
Average molar mass: 262.06 g/mol
Monoisotopic mass: 260.96366984

Names & identifiers

Preferred name: 4-Bromo-5-nitroveratrole
IUPAC: 1-bromo-4,5-dimethoxy-2-nitrobenzene
English name: 1-Bromo-4,5-dimethoxy-2-nitrobenzene
Molecular formula: C8H8BrNO4
Molecular weight: 262.06

Names & synonyms

1-Bromo-4,5-dimethoxy-2-nitrobenzene4-Bromo-5-nitroveratroleBenzene, 1-bromo-4,5-dimethoxy-2-nitro-UNB5D5EU7UDTXSID9068615VERATROLE, 4-BROMO-5-NITRO-RefChem:98148DTXCID5040964256-951-9DGUDEQARXVYDBS-UHFFFAOYSA-N51072-66-3MFCD00047665

Show more names

1-Bromo-2-nitro-4,5-dimethoxybenzene1,2-Dimethoxy-4-bromo-5-nitrobenzene2-Bromo-4,5-dimethoxynitrobenzene, 4-Bromo-5-nitroveratrole

1-Bromo-4,5-dimethoxy-2-nitro-benzene2-Bromo-4,5-dimethoxynitrobenzene1-Bromo-3,4-dimethoxy-6-nitrobenzene4-bromo-1,2-dimethoxy-5-nitrobenzeneEINECS 256-951-9UNII-UNB5D5EU7Ughl.PD_Mitscher_leg0.927SCHEMBL228990

Database identifiers

CAS: 51072-66-3
PubChem CID: 170968
DTXSID: DTXSID9068615
UNII: UNB5D5EU7U
EC Number: 256-951-9
Nikkaji: J261.629G

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 64.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 208

Physicochemical properties

Melting point: 122 · 122-124°
storage temp.: Store at room temperature
Appearance: Light yellow to yellow Solid
BRN: 2270367 · 2270367
FDA UNII: 5 D5EU7U · UNB5D5EU7U
EPA Substance Registry System: 1 · Benzene, 1-bromo-4,5-dimethoxy-2-nitro- (51072-66-3)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Hazard Codes: Xi
Risk Statements: 20 · 20/21/22
Safety Statements: 26 · 26-36/37/39
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
tsca: TSCA listed
risk_code: 20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501