4-[2-(トリフルオロメチル)フェニル]-3-チオセミカルバジド

3-Amino-1-(2-(trifluoromethyl)phenyl)thiourea

HCID 723187

基本情報

CAS
38901-29-0
標準SMILES
NNC(=S)Nc1ccccc1C(F)(F)F
InChIKey
DJHSXXYKSJQDKZ-UHFFFAOYSA-N
分子式
C8H8F3N3S
平均分子量
235.23 g/mol
単同位体質量
235.03910293

名称と識別子

優先名称
3-Amino-1-(2-(trifluoromethyl)phenyl)thiourea
IUPAC
1-amino-3-[2-(trifluoromethyl)phenyl]thiourea
現地名
4-[2-(トリフルオロメチル)フェニル]-3-チオセミカルバジド
英語名
4-[2-(Trifluoromethyl)phenyl]-3-thiosemicarbazide
分子式
C8H8F3N3S
分子量
235.23

名称と別名

3-amino-1-[2-(trifluoromethyl)phenyl]thiourea3-Amino-1-(2-(trifluoromethyl)phenyl)thioureaRefChem:496723671-255-938901-29-04-[2-(Trifluoromethyl)phenyl]-3-thiosemicarbazideN-(2-(trifluoromethyl)phenyl)hydrazinecarbothioamide1-amino-3-[2-(trifluoromethyl)phenyl]thiourean-[2-(trifluoromethyl)phenyl]hydrazinecarbothioamideMFCD000605694-(2-(trifluoromethyl)phenyl)-3-thiosemicarbazidehydrazino{[2-(trifluoromethyl)phenyl]amino}methane-1-thione
名称をさらに表示
4-[2-(トリフルオロメチル)フェニル]-3-チオセミカルバジド4-[2-(Triffluoromethyl)phenyl]-3-thiosemicarbazide4-[2-(Trifluoromethyl)phenyl]-3-thiosemicarbazide97%Hydrazinecarbothioamide, N-[2-(trifluoromethyl)phenyl]-3-[[2-(3-fluorophenyl)-2-oxoethyl]thio]-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-one
SCHEMBL7819531DTXSID10352325HMS1786A10CCG-46979SBB098399AKOS000122635ST51041691EN300-03799

データベース識別子

CAS
38901-29-0
PubChem CID
723187
DTXSID
DTXSID10352325
EC Number
671-255-9

物性

構造計算による物性

XLogP
0.8
極性表面積
82.2 Ų
水素結合供与体数
3
水素結合受容体数
5
回転可能結合数
1
重原子数
15

物理化学的性質

融点
159 · 159-161°C
沸点
290.9 · 290.9±50.0 °C(Predicted)
比重(密度)
1.471 · 1.471±0.06 g/cm3(Predicted)
貯蔵温度
Keep in dark place,Sealed in dry,Room Temperature
酸解離定数(Pka)
10.12 · 10.12±0.70(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 3 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (33.3%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);STOT SE 3 (100%)

安全データ

hs_code
2930909899
risk_code
20/21/22-36/37/38
hazard_code
Xi
safety_code
26-36/37/39
hazard_class
IRRITANT

化学と産業

サプライヤー15 社

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
山东李比希生物医药科技有限公司17866677155 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]

関連反応

5 件

化合物ノート

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