CAS 7595-31-5 4,5-Dimethoxy-2-nitroaniline (HCID 4653152)

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Basic information

CAS: 7595-31-5
Standard SMILES: COc1cc(N)c([N+](=O)[O-])cc1OC
InChIKey: LDAJFLKWQVYIFG-UHFFFAOYSA-N
Molecular formula: C8H10N2O4
Average molar mass: 198.18 g/mol
Monoisotopic mass: 198.0640568

Names & identifiers

Preferred name: 4,5-Dimethoxy-2-nitroaniline
IUPAC: 4,5-dimethoxy-2-nitroaniline
English name: 4,5-Dimethoxy-2-nitroaniline
Molecular formula: C8H10N2O4
Molecular weight: 198.18

Names & synonyms

4,5-dimethoxy-2-nitroaniline7595-31-5DTXSID40405272RefChem:285474DTXCID10356126850-572-8MFCD000875504,5-dimethoxy-2-nitrophenylamineBenzenamine, 4,5-dimethoxy-2-nitro-5-amino-4-nitroveratrole4,5-dimethoxy-2-nitro-anilineSTL257795

Show more names

4,5-DiMethoxy-2-nitro-benzenaMineBenzenaMine,4,5-diMethoxy-2-nitro-

(4,5-dimethoxy-2-nitro-phenyl)-amineFE-0773CS-0233924EN300-137154,5-Dimethoxy-2-nitro-benzenamine; 4,5-Dimethoxy-2-nitro-aniline; 4-Amino-5-nitroveratrole;4-Amino-5-nitroveratroleFT-0667229A865587

Database identifiers

CAS: 7595-31-5
PubChem CID: 4653152
DTXSID: DTXSID40405272
EC Number: 850-572-8
Nikkaji: J36.337E

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 90.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 206

Physicochemical properties

Melting point: 171 °C · 171 °C
Boiling point: 383 · 383.0±37.0 °C(Predicted)
Density: 1.307 · 1.307±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: 0.57 · 0.57±0.25(Predicted)
color: Orange
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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.