1-(3-Bromopropyl)-2-methoxybenzene

HCID 255287

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Basic information

CAS: 38011-77-7
Standard SMILES: COc1ccccc1CCCBr
InChIKey: OMTJHFBMYNREKV-UHFFFAOYSA-N
Molecular formula: C10H13BrO
Average molar mass: 229.11 g/mol
Monoisotopic mass: 228.01498

Names & identifiers

Preferred name: 1-(3-Bromopropyl)-2-methoxybenzene
IUPAC: 1-(3-bromopropyl)-2-methoxybenzene
English name: Nsc80671
Molecular formula: C10H13BrO
Molecular weight: 229.11

Names & synonyms

1-(3-bromopropyl)-2-methoxybenzene38011-77-7DTXSID60292181RefChem:224243DTXCID902433231-(3-BROMO-PROPYL)-2-METHOXY-BENZENEBenzene,1-(3-bromopropyl)-2-methoxy-Benzene, 1-(3-bromopropyl)-2-methoxy-NSC80671MFCD00017896SCHEMBL79353SCHEMBL30118964

Show more names

OMTJHFBMYNREKV-UHFFFAOYSA-N1-bromo-3-(o-methoxyphenyl)propaneNSC-806711-(3-bromopropyl)-2-methoxy-benzeneAKOS000301975AB90584CS-0303187C78175

Database identifiers

CAS: 38011-77-7
PubChem CID: 255287
DTXSID: DTXSID60292181
EC Number: 182-634-9

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 116

Physicochemical properties

Boiling point: 111 · 111-112 °C(Press: 3.5 Torr)
Density: 1.302 · 1.302±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.