1-(Bromomethyl)-3-phenoxybenzene

HCID 94544

Notes Reactions

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Basic information

CAS: 51632-16-7
Standard SMILES: BrCc1cccc(Oc2ccccc2)c1
InChIKey: UJUNUASMYSTBSK-UHFFFAOYSA-N
Molecular formula: C13H11BrO
Average molar mass: 263.13 g/mol
Monoisotopic mass: 261.99932707

Names & identifiers

Preferred name: 1-(Bromomethyl)-3-phenoxybenzene
IUPAC: 1-(bromomethyl)-3-phenoxybenzene
English name: 1-(BROMOMETHYL)-3-PHENOXYBENZENE
Molecular formula: C13H11BrO
Molecular weight: 263.13

Names & synonyms

1-(Bromomethyl)-3-phenoxybenzene3-Phenoxybenzyl bromidem-Phenoxybenzyl bromideBenzene, 1-(bromomethyl)-3-phenoxy-alpha-Bromo-3-phenoxytoluenem-(Bromomethyl)phenyl phenyl etherEINECS 257-327-9UNII-GD31X56Z15DTXSID6028022alpha-bromo-m-tolyl phenyl etherGD31X56Z15.ALPHA.-BROMO-M-TOLYL PHENYL ETHER

Show more names

3-Phenoxybromobenzyl3-phenoxybenzylbromidem-phenoxybenzylbromide3-PHENYLOXYBENZYLBROMIDE3-(Bromomethyl)diphenyl etherm-(bromomethyl)phenylphenylether1-(bromomethyl)-3-phenoxy-benzen[3-(Bromomethyl)phenyl]phenyl ether

DTXCID2080223-PHENOXY-.ALPHA.-BROMOTOLUENERefChem:746363-PHENOXY-ALPHA-BROMOTOLUENE257-327-951632-16-7MFCD017616581-(Bromomethyl)-3-phenoxy-benzene

Database identifiers

CAS: 51632-16-7
PubChem CID: 94544
DTXSID: DTXSID6028022
ChEMBL: CHEMBL3182389
UNII: GD31X56Z15
EC Number: 257-327-9
Nikkaji: J60.234E

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 177

Physicochemical properties

Boiling point: 112 °C · 112 °C
Density: 1.3883 · 1.3883 (rough estimate)
refractive index: 1.513 · 1.5130 (estimate)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: liquid
color: clear colourless
CAS DataBase Reference: 51632 · 51632-16-7
FDA UNII: 31 X56Z15 · GD31X56Z15
EPA Substance Registry System: 1 · 1-(Bromomethyl)-3-phenoxybenzene (51632-16-7)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: C
Risk Statements: 43 · 43
Safety Statements: 36 · 36/37
Hazard Note: Corrosive
TSCA: TSCA listed
HS Code: 2909303890 · 2909303890
Toxicity: 50 orl-rat: · LD50 orl-rat: 2326 mg/kg NTIS** OTS0537681

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, 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 CategoriesAcute Tox. 4 (33.3%)

Safety data

tsca: TSCA listed
hs_code: 2909303890
Toxicity: LD50 orl-rat: 2326 mg/kg NTIS** OTS0537681
risk_code: 43
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: C
hazard_note: Corrosive
safety_code: 36/37
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1-(bromomethyl)-3-phenoxy-: ACTIVE

Applications · 1 item

Uses1-(Bromomethyl)-3-phenoxybenzene-d5 is an intermediate in the synthesis of Etofenprox-phenol-d5 (E936401) which is a labelled form of Etofenprox (E936400), which is a pyrethroid derivative which is used as an insecticide. Used as a standard for Pesticide detection. Useful in cannabis testing kits as a component of pesticide mixes (P698235).