Fenadiazole

HCID 13883CAS 1008-65-7
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Basic information

Standard SMILES
Oc1ccccc1-c1nnco1
InChIKey
OINXXHYENYVYPB-UHFFFAOYSA-N
Molecular formula
C8H6N2O2
Average molar mass
162.15 g/mol
Monoisotopic mass
162.04292744

Names & identifiers

Preferred name
Fenadiazole
IUPAC
2-(1,3,4-oxadiazol-2-yl)phenol
English name
2-(1,3,4-Oxadiazol-2-yl)phenol
Molecular formula
C8H6N2O2
Molecular weight
162.15

Names & synonyms

2-(1,3,4-Oxadiazol-2-yl)phenolFenadiazoleFenadiazolHypnazolEudormilViodorFenadiazolumJL 512o-1,3,4-Oxadiazol-2-ylphenolPHENOL, 2-(1,3,4-OXADIAZOL-2-YL)-Phenol, o-1,3,4-oxadiazol-2-yl-J. L. 512
Show more names
JL-512NSC100729NSC-100729Phenadiazole
Fenadiazole [INN:DCF]Fenadiazol [INN-Spanish]Fenadiazolum [INN-Latin]2-(o-Hydroxyphenyl)-1,3,4-oxadiazoleNSC 100729DTXSID7057608UNII-8YX6HIZ0IP8YX6HIZ0IP

Database identifiers

CAS
1008-65-7
PubChem CID
13883
DTXSID
DTXSID7057608
ChEMBL
CHEMBL1903897
ChEBI
CHEBI:134791
UNII
8YX6HIZ0IP
EC Number
680-965-8
Nikkaji
J7.218D

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
59.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Melting point
100 °C · 100 °C
Boiling point
0.1 · bp0.1 180°
Density
1.324 · 1.324±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
solubility
10 mg/mlEthanol: · DMSO: Soluble: = 10 mg/mlEthanol: Soluble: = 10 mg/ml
pka
7.84 · 7.84±0.30(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (83.3%): 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)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (16.7%)；Skin Irrit. 2 (83.3%)；Eye Irrit. 2A (83.3%)；STOT SE 3 (83.3%)

Safety data

rtecs
SM5850000
hs_code
2934999090
Toxicity
LD50 intraperitoneal in mouse: 940mg/kg
Symbol(GHS)
GHS07
hazard_class
IRRITANT
Hazard statements
H315-H319-H335

Chemistry & industry

Applications

UsesFenadiazole acts as a central nervous system agent to manage insomnia and dreaminess[1].

Suppliers32 total

山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Additional notes · 1 item

DefinitionChEBI: Fenadiazole is a biaryl that is phenol which is substituted at position 2 by a 1,3,4-oxadiazol-2-yl group. Formerly used as a hypnotic drug. It has a role as a sedative. It is a member of 1,3,4-oxadiazoles, a member of phenols and a biaryl.

Related reactions

5 records
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Linked notes

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