CAS 13247-79-5 1-(2-Bromoethoxy)naphthalene (HCID 11075906)

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Basic information

CAS: 13247-79-5
Standard SMILES: BrCCOc1cccc2ccccc12
InChIKey: OBGFJKNQKBMXBM-UHFFFAOYSA-N
Molecular formula: C12H11BrO
Average molar mass: 251.12 g/mol
Monoisotopic mass: 249.99933

Names & identifiers

Preferred name: 1-(2-Bromoethoxy)naphthalene
IUPAC: 1-(2-bromoethoxy)naphthalene
English name: 1-(2-bromoethoxy)naphthalene
Molecular formula: C12H11BrO
Molecular weight: 251.12

Names & synonyms

1-(2-bromoethoxy)naphthalene13247-79-5DTXSID00927703RefChem:421621DTXCID901356485837-128-9Naphthalene, 1-(2-bromoethoxy)-2-bromoethyl naphthyl ether1-(2-bromoethoxyl)naphthalene2-(1-naphthoxy) ethylbromideSCHEMBL22045532-(1-naphthyloxy)ethyl bromide

Show more names

OBGFJKNQKBMXBM-UHFFFAOYSA-NNAA24779MFCD02030865AKOS000170383DB-336657CS-0216728EN300-56159H38139

Database identifiers

CAS: 13247-79-5
PubChem CID: 11075906
DTXSID: DTXSID00927703
EC Number: 837-128-9
Nikkaji: J708.414E

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 172

Physicochemical properties

Melting point: 25 °C · 25 °C
Boiling point: 154 · 154-156 °C(Press: 0.3 Torr)
Density: 1.416 · 1.416±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
EPA Substance Registry System: 1 · Naphthalene, 1-(2-bromoethoxy)- (13247-79-5)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H302-H315-H335-H312-H332
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H302-H315-H335-H312-H332
Precautionary statements: P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501