CAS 141604-51-5 1-(Bromomethyl)-4-methoxycyclohexane (HCID 21706529)

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Basic information

CAS: 141604-51-5
Standard SMILES: COC1CCC(CBr)CC1
InChIKey: UCOPXSOJPYCLOB-UHFFFAOYSA-N
Molecular formula: C8H15BrO
Average molar mass: 207.11 g/mol
Monoisotopic mass: 206.0306272

Names & identifiers

Preferred name: 1-(Bromomethyl)-4-methoxycyclohexane
IUPAC: 1-(bromomethyl)-4-methoxycyclohexane
English name: 1-(BroMoMethyl)-4-Methoxycyclohexane
Molecular formula: C8H15BrO
Molecular weight: 207.11

Names & synonyms

1-(Bromomethyl)-4-methoxycyclohexane141604-51-5DTXSID80617175RefChem:226232DTXCID80567929971-732-4Cyclohexane, 1-(bromomethyl)-4-methoxy-MFCD24459676bromomethyl-4-methoxycyclohexane4-methoxycyclohexylbromomethane4-MethoxycyclohexylmethylbromideSCHEMBL4678929

Show more names

SCHEMBL25432183SCHEMBL31370747UCOPXSOJPYCLOB-UHFFFAOYSA-NAC12391-(bromomethyl)-4-methoxy-cyclohexaneAKOS024164315CS-11624DA-30684

Database identifiers

CAS: 141604-51-5
PubChem CID: 21706529
DTXSID: DTXSID80617175
EC Number: 971-732-4

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 87.3

Physicochemical properties

Boiling point: 224.5 · 224.5±13.0 °C(Predicted)
Density: 1.26 · 1.26±0.1 g/cm3(Predicted)
Symbol(GHS): 6 · GHS06,GHS08
Signal word: Danger
Hazard statements: 301 · H301-H311-H331-H341
Precautionary statements: 201 · P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS06,GHS08
Hazard statements: H301-H311-H331-H341
Precautionary statements: P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501