CAS 19056-41-8 3-Bromo-4-methoxyaniline (HCID 961083)

Names & identifiers

Preferred name: 3-Bromo-4-methoxyaniline
IUPAC: 3-bromo-4-methoxyaniline
English name: 3-Bromo-4-methoxyaniline
Molecular formula: C7H8BrNO
Molecular weight: 202.05

Names & synonyms

3-Bromo-4-methoxyaniline19056-41-8DTXSID30359376RefChem:277471DTXCID60310430676-314-24-Amino-2-bromoanisoleBenzenamine, 3-bromo-4-methoxy-MFCD040943393-bromo-4-methoxyphenylamine2-Bromo-4-aminoanisole3-BROMO-4-METHOXY-PHENYLAMINE

Show more names

3-Bromo-4-methoxyanilin3-Bromo-4-methoxyaniline >Benzenamine, 3-bromo-4-methoxy-4-Amino-2-bromoanisole, 3-Bromo-p-anisidine3-BROMO-4-METHOXYANILINE ISO 9001：2015 REACH

3-Bromo-4-methoxybenzenamineCS-W007436AC-15101AC-28513B3320?3-Bromo-4-methoxyaniline3-Bromo-4-methoxy aniline3-bromo-4methoxyaniline

Database identifiers

CAS: 19056-41-8
PubChem CID: 961083
DTXSID: DTXSID30359376
EC Number: 676-314-2
Nikkaji: J568.861B

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 110

Physicochemical properties

Melting point: 62 °C · 62 °C
Boiling point: 282.2 · 282.2±20.0 °C(Predicted)
Density: 1.531 · 1.531±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 4.13 · 4.13±0.10(Predicted)
color: White to Brown
InChIKey: NMUFTXMBONJQTC-UHFFFAOYSA-N
CAS DataBase Reference: 19056 · 19056-41-8
Symbol(GHS): 6 · GHS06,GHS07
Signal word: Danger
Hazard statements: 301 · H301+H311+H331-H315-H319
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
Hazard Codes: Xi,N,T+
Risk Statements: 26 · 26/27/28-33-50
Safety Statements: 28 · 28-36/37-45-61
RIDADR: 2811 · 2811
HazardClass: IRRITANT
PackingGroup: III
HS Code: 2921420090 · 2921420090
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H300+H310+H330 (90.5%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P319, P320, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 2 (90.5%)

Safety data

ridadr: 2811
hs_code: 2921420090
risk_code: 26/27/28-33-50
Signal word: Danger
Symbol(GHS): GHS06,GHS07
hazard_code: Xi,N,T+
safety_code: 28-36/37-45-61
hazard_class: IRRITANT
packing_group: III
Hazard statements: H301+H311+H331-H315-H319
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501

Chemistry & industry

Applications · 1 item

Uses3-Bromo-4-methoxyaniline is an intermediate used to prepare triazole analogs of combretastatin A-4 as cytotoxic agents and inhibitors of tubulin. It is also used in the synthesis of (1,2,4-oxadiazolyl)biphenylcarbonyltetrahydrospiro[furo]indolepiperidine (SB-224289) as selective 5-HT1B receptor inverse agonist.