p-(Phenylthio)benzyl alcohol

HCID 80593CAS 6317-56-2

Basic information

Standard SMILES
OCc1ccc(Sc2ccccc2)cc1
InChIKey
PGOAWMRWDZJQTB-UHFFFAOYSA-N
Molecular formula
C13H12OS
Average molar mass
216.3 g/mol
Monoisotopic mass
216.06088618

Names & identifiers

Preferred name
p-(Phenylthio)benzyl alcohol
IUPAC
(4-phenylsulfanylphenyl)methanol
English name
p-(phenylthio)benzyl alcohol
Molecular formula
C13H12OS
Molecular weight
216.3

Names & synonyms

6317-56-2p-(Phenylthio)benzyl alcohol4-(Phenylthio)benzyl Alcohol4-(Phenylthio)benzenemethanolbenzenemethanol, 4-(phenylthio)-[4-(phenylsulfanyl)phenyl]methanolNSC 43060TMD9BW7WU5EINECS 228-658-6NSC-43060DTXSID10212511(4-(PHENYLSULFANYL)PHENYL)METHANOL
Show more names
(4-(Phenylthio)4-(Phenylthio)Benzyl Chlorideparabenzenethioylbenzenemethylol(4-(chloromethyl)phenyl)(phenyl)sulfane
RefChem:169268DTXCID40135002228-658-6(4-(phenylthio)phenyl)methanol(4-phenylsulfanylphenyl)methanolMFCD04108413[4-(phenylthio)phenyl]methanolNSC43060

Database identifiers

CAS
6317-56-2
PubChem CID
80593
DTXSID
DTXSID10212511
UNII
TMD9BW7WU5
EC Number
228-658-6
Nikkaji
J206.909A

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
45.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
15

Physicochemical properties

Melting point
46 · 46-48°C
Boiling point
390.2 · 390.2±25.0 °C(Predicted)
Density
1.21 · 1.21±0.1 g/cm3(Predicted)
storage temp.
-20 °C · Sealed in dry,Store in freezer, under -20°C
solubility
DMSO (Slightly), Methanol (Slightly)
form
Solid

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (33.3%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 2 of 3 reports by companies.;There is 1 notification provided by 1 of 3 reports by companies with hazard statement code(s).;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 (33.3%);Skin Irrit. 2 (33.3%);Eye Irrit. 2A (33.3%);STOT SE 3 (33.3%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Applications

UsesAn impurity of Fenticonazole nitrate (F279250), a new potent antimycotic compound.

Suppliers50 total

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]

Related reactions

2 records

Linked notes

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