CAS 24856-58-4 1-Bromo-4-(dimethoxymethyl)benzene (HCID 688342)

Names & identifiers

Preferred name: 1-Bromo-4-(dimethoxymethyl)benzene
IUPAC: 1-bromo-4-(dimethoxymethyl)benzene
English name: 4-BROMOBENZALDEHYDE DIMETHYL ACETAL
Molecular formula: C9H11BrO2
Molecular weight: 231.09

Names & synonyms

4-Bromobenzaldehyde dimethyl acetal1-bromo-4-(dimethoxymethyl)benzene24856-58-4DTXSID70350882RefChem:430594DTXCID60301949629-494-1918-110-0MFCD01320499Benzene, 1-bromo-4-(dimethoxymethyl)-SCHEMBL65024-bromobenzaldehyde dimethyl ketal

Show more names

(4-Bromophenyl)dimethoxymethane1-(Dimethoxymethyl)-4-bromobenzene4 Bromobenzaldehyde dimethyl actalP-BROMO BENZALDEHYDE DIMETHYLACETALBenzene,1-bromo-4-(dimethoxymethyl)-1,1-dimethoxy-1-(4-bromophenyl)methane4-BroMobenzaldehyde diMethyl acetal 98%

4-bromo-benzaldehyde dimethyl ketal4-Bromobenzaldehyde dimethyl acetal, 98%B58194-bromo-benzaldehyde dimethyl acetal4-bromo-benzaldehyde di1-bromo-4-dimethoxymethyl benzene1-bromo-4-dimethoxymethyl-benzeneTWFNGPDYMFEHOB-UHFFFAOYSA-N

Database identifiers

CAS: 24856-58-4
PubChem CID: 688342
DTXSID: DTXSID70350882
EC Number: 629-494-1、918-110-0
Nikkaji: J314.386D

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 118

Physicochemical properties

Boiling point: 254 °C · 254 °C(lit.)
Density: 1.383 g/mL · 1.383 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.532(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Inert atmosphere,Room Temperature
form: Liquid
color: Colorless to Light yellow
Water Solubility: Insoluble in water.
InChI: 1S/C9H11BrO2/c1-11-9(12-2)7-3-5-8(10)6-4-7/h3-6,9H,1-2H3
InChIKey: TWFNGPDYMFEHOB-UHFFFAOYSA-N
SMILES: COC(OC)c1ccc(Br)cc1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338-P280a-P304+P340-P405-P501a
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HS Code: 2913000090 · 2913000090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

Hazard information

Regulatory InformationStatus: Active Update: 20-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21851

Hazard Classes and Categories · 2 items

Skin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 2913000090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
REACH Registrations: Active
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P305+P351+P338-P280a-P304+P340-P405-P501a

Chemistry & industry

Applications · 3 items

Uses4-Bromobenzaldehyde dimethyl acetal, is used to produce other chemicals, it is used to produce 1-Bromo-4-bromomethyl-benzene at ambient temperature.

Uses4-Bromobenzaldehyde diethyl acetal may be used in the synthesis of [2-(4-dimethoxymethylphenyl)-vinyl]-trimethyl-silane and di(4-formylphenyl)diphenylsilane.

General Description4-Bromobenzaldehyde diethyl acetal is an acetal derivative of 4-bromobenzaldehyde. Its enthalpy of vaporization at boiling point (527.15K) is 46.499kjoule/mol. 4-Bromobenzaldehyde diethyl acetal can be synthesized by reacting 4-bromobenzaldehyde with methanol in the presence of triethylamine and titanium chloride.