(フェニル)チオアセトアミド

2-Phenylethanethioamide

HCID 731368CAS 645-54-5

基本情報

標準SMILES
NC(=S)Cc1ccccc1
InChIKey
CJXBHFANXQMZBF-UHFFFAOYSA-N
分子式
C8H9NS
平均分子量
151.23 g/mol
単同位体質量
151.04557046

名称と識別子

優先名称
2-Phenylethanethioamide
IUPAC
2-phenylethanethioamide
現地名
(フェニル)チオアセトアミド
英語名
2-Phenylethanethioamide
分子式
C8H9NS
分子量
151.23

名称と別名

2-PhenylethanethioamideRefChem:478166678-916-0645-54-52-PhenylthioacetamideBenzeneethanethioamidePhenylthioacetamidePhenylacetothioamideMFCD00022177Acetamide, 2-phenylthio-2-PHENYLETHANIMIDOTHIOIC ACIDNSC-52357
名称をさらに表示
(フェニル)チオアセトアミド2-フェニルチオアセトアミドベンゼンチオアセトアミドフェニルチオアセトアミドベンゼンエタンチオアミド2-フェニルエタンチオアミド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

データベース識別子

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

物性

構造計算による物性

XLogP
1
極性表面積
58.1 Ų
水素結合供与体数
1
水素結合受容体数
1
回転可能結合数
2
重原子数
10

物理化学的性質

融点
96 · 96-98°C
沸点
277.3 · 277.3±33.0℃ (760 Torr)
比重(密度)
1.155 · 1.155±0.06 g/cm3 (20 ºC 760 Torr)
闪点
121.5 · 121.5±25.4℃
貯蔵温度
2 · Storage temp. 2-8°C
酸解離定数(Pka)
13.1 · 13.10±0.29(Predicted)

安全と法規制

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

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%)

安全データ

hs_code
2924190090
hazard_class
IRRITANT

化学と産業

応用分野

使用2-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.

サプライヤー46 社

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]

関連反応

12 件

関連ノート

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