2-Phenylethanethioamide

HCID 731368CAS 645-54-5

Grundinformationen

Standard-SMILES
NC(=S)Cc1ccccc1
InChIKey
CJXBHFANXQMZBF-UHFFFAOYSA-N
Summenformel
C8H9NS
Durchschnittliche Molmasse
151,23 g/mol
Monoisotopische Masse
151,04557046

Namen und Bezeichner

Bevorzugter Name
2-Phenylethanethioamide
IUPAC
2-phenylethanethioamide
Englischer Name
2-Phenylethanethioamide
Summenformel
C8H9NS
Molmasse
151.23

Namen und Synonyme

2-PhenylethanethioamideRefChem:478166678-916-0645-54-52-PhenylthioacetamideBenzeneethanethioamidePhenylthioacetamidePhenylacetothioamideMFCD00022177Acetamide, 2-phenylthio-2-PHENYLETHANIMIDOTHIOIC ACIDNSC-52357
Weitere Namen anzeigen
NSC 52357NSC 235948OTAVA-BB BB70188904382-Phenylthioacetamide>Acetamide, 2-phenylthio-2-Phenylthioacetamide, 97%
NSC-235948Benzeneethanimidothioic acid1-amino-2-phenylethane-1-thione65680-26-4NSC52357a-phenylthioacetamide2-phenyl-thioacetamidealpha-phenylthioacetamide

Datenbank-Bezeichner

CAS
645-54-5
PubChem CID
731368
DTXSID
DTXSID40983060
UNII
LLS5738GKL
EC Number
678-916-0
Nikkaji
J114.006J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1
Polarare Oberfläche (TPSA)
58,1 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
2
Schwere Atome
10

Physikochemische Eigenschaften

Schmelzpunkt
96 · 96-98°C
Siedepunkt
277.3 · 277.3±33.0℃ (760 Torr)
Dichte
1.155 · 1.155±0.06 g/cm3 (20 ºC 760 Torr)
Flammpunkt
121.5 · 121.5±25.4℃
storage temp.
2 · Storage temp. 2-8°C
pka
13.1 · 13.10±0.29(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 11.1% (1 of 9) of reports.

Warning

H302+H312+H332 (11.1%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation];H302 (77.8%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (22.2%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (88.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (88.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (22.2%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (77.8%): 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)

Aggregated GHS information provided per 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 9 reports by companies.;There are 5 notifications provided by 8 of 9 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (77.8%);Acute Tox. 4 (22.2%);Skin Irrit. 2 (88.9%);Eye Irrit. 2A (88.9%);Acute Tox. 4 (22.2%);STOT SE 3 (77.8%)

Sicherheitsdaten

hs_code
2924190090
hazard_class
IRRITANT

Chemie und Industrie

Anwendungen

Verwenden2-Phenylthioacetamide find extensive use in organic synthesis. N-bromo and N-chloro succinimides are halogenating agents. Phthalimides are used in the synthesis of primary amines.

Anbieter46 Anbieter

上海康恩博医药科技有限公司17510465506 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]

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