CAS 95970-05-1 2,6-Dibromo-4-methoxyaniline (HCID 542895)

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Basic information

CAS: 95970-05-1
Standard SMILES: COc1cc(Br)c(N)c(Br)c1
InChIKey: JIZVMILRYBKPFN-UHFFFAOYSA-N
Molecular formula: C7H7Br2NO
Average molar mass: 280.94 g/mol
Monoisotopic mass: 278.88944

Names & identifiers

Preferred name: 2,6-Dibromo-4-methoxyaniline
IUPAC: 2,6-dibromo-4-methoxyaniline
English name: 2,6-dibromo-4-methoxyaniline
Molecular formula: C7H7Br2NO
Molecular weight: 280.94

Names & synonyms

2,6-Dibromo-4-methoxyaniline95970-05-1DTXSID10337470RefChem:248184DTXCID50288558694-804-4Benzenamine, 2,6-dibromo-4-methoxy-2,6-DIBROMO-4-METHOXYBENZENAMINEMFCD066544952,6-dibromo-4-methoxyphenylamineSCHEMBL6666722,6-dibromo-4-methoxy-aniline

Show more names

2,6-Dibromo-p-anisidinePhloroglucinol Impurity 36,6-DIBROMO-4-METHOXYANILINE6-dibroMo-4-MethoxybenzenaMine2,6-DibroMo-4-Methoxy-phenylaMine

2,6-Dibromo-4-methoxyaniline #Aniline, 2,6-dibromo-4-methoxy-VDA97005SBB007585AKOS015968770AB11082CS-W006531DS-5911

Database identifiers

CAS: 95970-05-1
PubChem CID: 542895
DTXSID: DTXSID10337470
EC Number: 694-804-4

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 122

Physicochemical properties

Melting point: 81 · 81-83℃
Boiling point: 293.6 · 293.6±35.0 °C(Predicted)
Density: 1.897 · 1.897
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 1.08 · 1.08±0.10(Predicted)
Appearance: White to light brown Solid
InChI: InChI=1S/C7H7Br2NO/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3H,10H2,1H3
InChIKey: JIZVMILRYBKPFN-UHFFFAOYSA-N
SMILES: C1(N)=C(Br)C=C(OC)C=C1Br
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (97.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (97.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (97.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (97.4%): 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)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 (97.4%)；Acute Tox. 4 (97.4%)；Skin Irrit. 2 (97.4%)；Eye Irrit. 2 (97.4%)；Acute Tox. 4 (97.4%)；STOT SE 3 (97.4%)