CAS 106116-42-1 1-(Bromomethyl)-3-methoxy-5-methylbenzene (HCID 585534)

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Basic information

CAS: 106116-42-1
Standard SMILES: COc1cc(C)cc(CBr)c1
InChIKey: MKSIZXUATJUOTA-UHFFFAOYSA-N
Molecular formula: C9H11BrO
Average molar mass: 215.09 g/mol
Monoisotopic mass: 213.99933

Names & identifiers

Preferred name: 1-(Bromomethyl)-3-methoxy-5-methylbenzene
IUPAC: 1-(bromomethyl)-3-methoxy-5-methylbenzene
English name: 1-(Bromomethyl)-3-methoxy-5-methylbenzene
Molecular formula: C9H11BrO
Molecular weight: 215.09

Names & synonyms

1-(bromomethyl)-3-methoxy-5-methylbenzene106116-42-1DTXSID60342892RefChem:427293DTXCID20293972959-941-91-Bromomethyl-3-methoxy-5-methylbenzene1-bromomethyl-3-methoxy-5-methyl-benzeneBenzene, 1-(bromomethyl)-3-methoxy-5-methyl-MFCD092640623-bromomethyl-5-methylanisoleSCHEMBL1936578

Show more names

GEA11642AKOS016007262AB50499DB-363483C90360EN300-256224

Database identifiers

CAS: 106116-42-1
PubChem CID: 585534
DTXSID: DTXSID60342892
EC Number: 959-941-9
Nikkaji: J1.262.908G

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 116

Physicochemical properties

Melting point: 38 °C · 38 °C(Solv: methanol (67-56-1))
Boiling point: 263.7 · 263.7±25.0 °C(Predicted)
Density: 1.351 · 1.351±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 280 · P280-P305+P351+P338-P310

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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.