(2S)-2-((1-Naphthalenyloxy)methyl)oxirane

HCID 148933

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Basic information

CAS: 61249-00-1
Standard SMILES: c1ccc2c(OC[C@@H]3CO3)cccc2c1
InChIKey: QYYCPWLLBSSFBW-NSHDSACASA-N
Molecular formula: C13H12O2
Average molar mass: 200.23 g/mol
Monoisotopic mass: 200.08372962

Names & identifiers

Preferred name: (2S)-2-((1-Naphthalenyloxy)methyl)oxirane
IUPAC: (2S)-2-(naphthalen-1-yloxymethyl)oxirane
English name: S-(+)-α-Naphthyl Glycidyl Ether
Molecular formula: C13H12O2
Molecular weight: 200.23

Names & synonyms

61249-00-1(S)-Glycidyl 1-naphthyl etherGlycidyl 1-naphthyl ether, (S)-212652A7IH(2S)-2-[(1-Naphthalenyloxy)methyl]oxirane(2S)-2-((1-Naphthalenyloxy)methyl)oxiraneRefChem:1049930Oxirane, ((1-naphthalenyloxy)methyl)-, (S)-(S)-2-((NAPHTHALEN-1-YLOXY)METHYL)OXIRANES-(+)-a-Naphthyl Glycidyl Ether(2S)-2-(naphthalen-1-yloxymethyl)oxirane(2S)-2-[(NAPHTHALEN-1-YLOXY)METHYL]OXIRANE

Show more names

S-(+)-α-Naphthyl Glycidyl EtherS-(+)-α-Naphthyl Glycidyl Ether(S)-(+)-GLYCIDYL1-NAPHTHYLETHEROxirane, 2-[(1-naphthalenyloxy)methyl]-, (2S)-

CCRIS 6392(S)-(+)-Glycidyl 1-naphthyl ether(S)-((1-Naphthalenyloxy)methyl)oxiraneUNII-212652A7IH(2S)-2-[(1-Naphthalenyloxy)methyl]oxirane; (S)-1-(1-Naphthyloxy)-2,3-epoxypropane; S-Glycidyl 1-Naphthyl Ether; (S)-(+)-3-(1'-Naphthyloxy)-1,2-epoxypropane;Naftopidil Impurity 7Oxirane, [(naphthalenyloxy)methyl]-, (2S)-SCHEMBL5433989

Database identifiers

CAS: 61249-00-1
PubChem CID: 148933
DTXSID: DTXSID10210153
UNII: 212652A7IH
EC Number: 612-105-4
Nikkaji: J534.799H

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 21.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 217

Physicochemical properties

storage temp.: -20 °C · -20°C Freezer
solubility: Chloroform (Slightly), Methanol (Sparingly)
form: Oil
color: Clear Colourless
EWG's Food Scores: 1 · 1
FDA UNII: 212652 A7IH · 212652A7IH

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

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]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (100%): Causes serious eye damage [Danger 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]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P391, 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%)；Skin Sens. 1 (100%)；Eye Dam. 1 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)；Aquatic Acute 1 (100%)