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结构：NC(=S)Nc1ccccc1Br
HCID2735618

Thiourea, (2-bromophenyl)-

(2-bromophenyl)thiourea

C7H7BrN2S231.12 g/molCAS 5391-30-0
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IDENTITY

结构与身份

标准 SMILES
NC(=S)Nc1ccccc1Br
InChIKey
QIGMVYSPXPXCPN-UHFFFAOYSA-N
分子式
C7H7BrN2S
平均分子量
231.12 g/mol
单同位素质量
229.95133

COMPUTED

结构计算性质

已同步
XLogP
1.4
极性表面积
70.1 Ų
氢键供体
2
氢键受体
1
可旋转键
1
重原子
11
形式电荷
0
复杂度
151

PROPERTIES

实验与物化性质

来源：PubChem
Solubility

>34.7 [ug/mL] (The mean of the results at pH 7.4)

GHS

GHS 分类

来源：PubChem
GHS Classification

Danger

H301 (97.8%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (91.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (88.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P332+P317, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 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.

HAZARDS

危害信息

来源：PubChem
Hazard Classes and Categories

Acute Tox. 3 (97.8%)；Skin Irrit. 2 (91.1%)；Skin Sens. 1 (88.9%)

ALIASES

名称与别名

共 44 条
5391-30-0(2-bromophenyl)thioureaThiourea, (2-bromophenyl)-DTXSID80202186RefChem:897948DTXCID80124677624-110-91-(2-Bromophenyl)-2-thiourea1-(2-bromophenyl)thiourea2-bromophenylthioureaN-(2-bromophenyl)thioureaMFCD00041146amino[(2-bromophenyl)amino]methane-1-thioneThiourea, (bromophenyl)-Thiourea,N-(2-bromophenyl)-2-bromophenythioureao-bromophenylthiourea2-bromophenyl thioureaThiourea,(2-bromophenyl)-3-(2-bromophenyl)isothiourea

REACTIONS

参与反应

2 条
全部作为反应物作为生成物作为试剂作为催化剂作为溶剂