3,5-Dimethoxybenzyl Bromide

HCID 1274490CAS 877-88-3
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(CBr)cc(OC)c1
InChIKey
BTHIGJGJAPYFSJ-UHFFFAOYSA-N
Molecular formula
C9H11BrO2
Average molar mass
231.09 g/mol
Monoisotopic mass
229.99424169

Names & identifiers

Preferred name
3,5-Dimethoxybenzyl Bromide
IUPAC
1-(bromomethyl)-3,5-dimethoxybenzene
English name
3,5-Dimethoxybenzyl bromide
Molecular formula
C9H11BrO2
Molecular weight
231.09

Names & synonyms

3,5-Dimethoxybenzyl bromide877-88-3DTXSID20361564RefChem:91568DTXCID80312613618-071-71-(bromomethyl)-3,5-dimethoxybenzene3,5-DimethoxybenzylbromideMFCD01321368alpha-Bromo-3,5-dimethoxytoluene3,5-dimethoxy benzyl bromide1-(Bromomethyl)-3,5-dimethoxy-benzene; 5-(Bromomethyl)-1,3-dimethoxybenzene; alpha-Bromo-3,5-dimethoxytoluene;
Show more names
3,5-DIMETHOXYBENZYLBROMIDα-BroMo-3,5-diMethoxytoluene3,5-DimethoxybenzylBromide>3,5-Dimethoxybenzyl bromide, 98%3,5-Dimethoxybenzyl bromide 95+%3,5-Dimethoxybenzylamine Bromide5-(BroMoMethyl)-1,3-diMethoxybenzene
3,5-Dimethoxy benzylbromide3,5-dimethoxy-benzyl bromide3, 5-Dimethoxy benzylbromideSCHEMBL627823ghl.PD_Mitscher_leg0.1147WLZ3732BTHIGJGJAPYFSJ-UHFFFAOYSA-N3,5-Dimethoxybenzyl bromide, 95%

Database identifiers

CAS
877-88-3
PubChem CID
1274490
DTXSID
DTXSID20361564
EC Number
618-071-7
Nikkaji
J748.861K

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
12

Physicochemical properties

Melting point
69 · 69-70 °C (lit.)
Boiling point
292.1 · 292.1±25.0 °C(Predicted)
Density
1.384 · 1.384±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
solubility
soluble in Methanol
form
Crystalline Powder

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk
3
ridadr
UN 3261 8/PG 2
hs_code
29093090
risk_code
34
Signal word
Danger

Chemistry & industry

Applications · 4 items

Uses3,5-Dimethoxybenzyl bromide may be used in various organic synthesis such as 3,4,3′,5′-tetramethoxystilbene; 3,5-dimethoxyphenylacetic acid; 1-(3,5-dimethoxyphenyl)-4-pentene etc., and 3,5-Dimethoxybenzyl bromide may be used as starting material in the multi-step synthesis of resveratroland 3,5-dimethoxyhomophthalic acid.

Uses3,5-DIMETHOXYBENZYL BROMIDE is used in dimethoxybenzene alkyl addition.

Uses3,5-Dimethoxybenzyl bromide may be used in the synthesis of:3,4,3′,5′-tetramethoxystilbene3,5-dimethoxyphenylacetic acid1-(3,5-dimethoxyphenyl)-4-penteneIt may be used as starting material in the multi-step synthesis of resveratrol and 3,5-dimethoxyhomophthalic acid.

General Description3,5-Dimethoxybenzyl bromide is an aromatic bromide.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

Related reactions

45 records
New reaction record

Linked notes

Loading…