CAS 4457-67-4 1-Bromo-4-methoxybutane (HCID 521168)

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Basic information

CAS: 4457-67-4
Standard SMILES: COCCCCBr
InChIKey: ALOQTNHQNMYBDE-UHFFFAOYSA-N
Molecular formula: C5H11BrO
Average molar mass: 167.04 g/mol
Monoisotopic mass: 165.99932707

Names & identifiers

Preferred name: 1-Bromo-4-methoxybutane
IUPAC: 1-bromo-4-methoxybutane
English name: 1-Bromo-4-methoxybutane
Molecular formula: C5H11BrO
Molecular weight: 167.04

Names & synonyms

1-Bromo-4-methoxybutane4457-67-41-Methoxy-4-bromobutaneButane, 1-bromo-4-methoxy-4-Methoxybutyl bromideEther, 4-bromobutyl methyl4-Bromobutyl methyl ether.omega.-Bromobutyl methyl etherDTXSID50334569RefChem:75134omega-Bromobutyl methyl etherDTXCID60285659

Show more names

1-BroMo-4-Methoxybut4-METHOXYBUTYL BROMIDE 95%4-Methoxybutyl bromide ,95%1-Bromo-4-methoxybutane >

810-946-3ALOQTNHQNMYBDE-UHFFFAOYSA-NMFCD000371021-bromo-4methoxybutane1-bromo-4-methoxy-butaneB4495EN300-211130F13727

Database identifiers

CAS: 4457-67-4
PubChem CID: 521168
DTXSID: DTXSID50334569
EC Number: 810-946-3
Nikkaji: J27.096B

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 7
Formal charge: 0
Complexity: 31.3

Physicochemical properties

Boiling point: 165 °C · 165°C(lit.)
Density: 1.3052 · 1.3052
refractive index: 1.451 · 1.4510-1.4550
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Almost colorless
NIST Chemistry Reference: 1 · Butane, 1-bromo-4-methoxy-(4457-67-4)
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H315-H319
Precautionary statements: 210 · P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
RIDADR: 1993 · 1993
HazardClass: 3 · 3
PackingGroup: III
HS Code: 2909199090 · 2909199090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (66.7%)

Safety data

ridadr: 1993
hs_code: 2909199090
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_class: 3
packing_group: III
Hazard statements: H226-H315-H319
Precautionary statements: P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501