5-Bromo-1,2,3-trimethoxybenzene

HCID 75885
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Basic information

CAS
2675-79-8
Standard SMILES
COc1cc(Br)cc(OC)c1OC
InChIKey
XAOOZMATJDXDQJ-UHFFFAOYSA-N
Molecular formula
C9H11BrO3
Average molar mass
247.09 g/mol
Monoisotopic mass
245.98916

Names & identifiers

Preferred name
5-Bromo-1,2,3-trimethoxybenzene
IUPAC
5-bromo-1,2,3-trimethoxybenzene
English name
1-Bromo-3,4,5-trimethoxybenzene
Molecular formula
C9H11BrO3
Molecular weight
247.09

Names & synonyms

1-Bromo-3,4,5-trimethoxybenzene2675-79-85-Bromo-1,2,3-trimethoxybenzeneEINECS 220-223-9DTXSID90181256RefChem:532664DTXCID00103747220-223-93,4,5-TrimethoxybromobenzeneBenzene, 5-bromo-1,2,3-trimethoxy-MFCD000171695-bromo-1,2,3-trimethoxy-benzene
Show more names
BROMOTRIMETHOXYBENZENE3,4,5-Trimethoxybromoben3,4,5-rimethoxyboromobenzene3,4,5-Trimethoxyphenyl bromide3,4,5-triemethoxyphenylbromide5-Bromopyrogallol trimethyl ether
5JG6HF8BMB3,4,5-TrimethoxybrombenzeneSCHEMBL4297563,4,5-trimethoxyphenylbromide3,4,5-trimethoxy-bromobenzeneSCHEMBL289424831,2,3-trimethoxy-5-bromobenzene3,4,5-Trimethoxy-1-bromobenzene

Database identifiers

CAS
2675-79-8
PubChem CID
75885
DTXSID
DTXSID90181256
UNII
5JG6HF8BMB
EC Number
220-223-9
Nikkaji
J192.188F

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
27.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
13

Physicochemical properties

Melting point
78 · 78-82 °C(lit.)
Boiling point
273 °C/747mmHg · 273°C/747mmHg(lit.)
Density
1.5463 · 1.5463 (rough estimate)
refractive index
1.473 · 1.4730 (estimate)
storage temp.
Sealed in dry,Room Temperature
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (13.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (86.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (13.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 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 CategoriesSkin Irrit. 2 (13.3%)；Skin Sens. 1 (86.7%)；Eye Irrit. 2 (13.3%)；STOT SE 3 (11.1%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk
3
hs_code
2909309090
risk_code
43
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Uses5-Bromo-1,2,3-trimethoxybenzene is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Related reactions

53 records
New reaction record

Compound notes

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