CAS 126-38-5 1-Bromo-2,2-dimethoxypropane (HCID 67175)

Names & identifiers

Preferred name: 1-Bromo-2,2-dimethoxypropane
IUPAC: 1-bromo-2,2-dimethoxypropane
English name: 1-Bromo-2,2-dimethoxypropane
Molecular formula: C5H11BrO2
Molecular weight: 183.04

Names & synonyms

1-Bromo-2,2-dimethoxypropane126-38-5Propane, 1-bromo-2,2-dimethoxy-EINECS 204-784-7DTXSID70155036RefChem:75035DTXCID9077527204-784-7SGTITUFGCGGICE-UHFFFAOYSA-N1-Bromo-2,2-dimethoxyprpopaneMFCD000002081-bromo-2,2-dimethoxy-propane

Show more names

1-BROMO-2,2-DIMETHOXYPROPANONE1-Bromo-2,2-dimethoxypropane 97%1-Bromo-2,2-dimethoxypropane,97%1-Bromo-2,2-dimethoxyprpopane czj

bromo-2,2-dimethoxypropane323582F8T3BROMOACETONE DIMETHYL ACETALbromo-2,2dimethoxypropane1-Bromo-22-dimethoxypropaneSCHEMBL10584411-bromo-2,2-dimethoxy propaneBROMOACETONE DIMETHYL KETAL

Database identifiers

CAS: 126-38-5
PubChem CID: 67175
DTXSID: DTXSID70155036
UNII: 323582F8T3
EC Number: 204-784-7
Nikkaji: J21C

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 61

Physicochemical properties

Boiling point: 83 · 83-87 °C/80 mmHg (lit.)
Density: 1.355 g/mL · 1.355 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.447(lit.)
Flash point: 105 °F · 105 °F
storage temp.: 2 · Inert atmosphere,2-8°C
form: liquid
BRN: 2036095 · 2036095
InChI: InChI=1S/C5H11BrO2/c1-5(4-6,7-2)8-3/h4H2,1-3H3
InChIKey: SGTITUFGCGGICE-UHFFFAOYSA-N
SMILES: C(Br)C(OC)(OC)C
FDA UNII: 323582 F8T3 · 323582F8T3
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H315-H319-H335
Precautionary statements: 210 · P210-P303+P361+P353-P405-P501a-P261-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 10 · 10-36/37/38
Safety Statements: 16 · 16-26-27-36/37/39
RIDADR: 1993 · UN 1993 3/PG 3
WGK Germany: 3 · 3
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29110000 · 29110000
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 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 CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29110000
risk_code: 10-36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi
safety_code: 16-26-27-36/37/39
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H226-H315-H319-H335
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P303+P361+P353-P405-P501a-P261-P305+P351+P338

Chemistry & industry

Applications

Description1-Bromo-2,2-dimethoxypropane can be analyzed by this reverse phase (RP) HPLC method with simple conditions. The mobile phase contains an acetonitrile (MeCN), water, and phosphoric acid.

Uses1-Bromo-2,2-dimethoxypropane was used in the synthesis of:coronenedicarbonyl(η5-cyclopentadienyl)(η′-2-methoxyallyl)iron