4-(トリフルオロメチル)ベンズアミジン塩酸塩二水和物

4-(Trifluoromethyl)benzene-1-carboximidamide--hydrogen chloride--water (1/1/2)

HCID 44630771

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 175278-62-3
標準SMILES: Cl.N=C(N)c1ccc(C(F)(F)F)cc1.O.O
InChIKey: ZFGZRQQZWBYRRB-UHFFFAOYSA-N
分子式: C8H12ClF3N2O2
平均分子量: 260.64 g/mol
単同位体質量: 260.0539398

名称と識別子

優先名称: 4-(Trifluoromethyl)benzene-1-carboximidamide--hydrogen chloride--water (1/1/2)
IUPAC: 4-(trifluoromethyl)benzenecarboximidamide;dihydrate;hydrochloride
現地名: 4-(トリフルオロメチル)ベンズアミジン塩酸塩二水和物
英語名: 4-(TRIFLUOROMETHYL)BENZAMIDINE HYDROCHLORIDE DIHYDRATE
分子式: C8H10ClF3N2O
分子量: 242.63

名称と別名

175278-62-3DTXSID506600174-(Trifluoromethyl)benzene-1-carboximidamide--hydrogen chloride--water (1/1/2)RefChem:289525DTXCID206107664-(Trifluoromethyl)benzamidine hydrochloride dihydrate4-(Trifluoromethyl)benzimidamide hydrochloride dihydrateMFCD00122370C8H12ClF3N2O24-(trifluoromethyl)benzenecarboximidamide;dihydrate;hydrochloride4-(trifluoromethyl)benzene-1-carboximidamide dihydrate hydrochloride4-(Trifluoromethyl)benzene-1-carboximidamide hydrochloride dihydrate

名称をさらに表示

4-(トリフルオロメチル)ベンズアミジン塩酸塩二水和物BUTTPARK 43\57-564-(Trifluoromethyl)benzamidinehydrochloridedihydrate97%4-(Trifluoromethoxy)benzamidine Hydrochloride Dihydrate4-(Trifluoromethyl)benzamidine hydrochloride dihydrate 97%4-(trifluoromethyl)benzenecarboximidamide dihydrate hydrochloride4-(TrifluoroMethyl)benzene-1-carboxiMidaMide hydrochloride hydrate, 97%

4-(trifluoromethyl)benzamidine hydrochloride,dihydrateBenzenecarboximidamide, 4-(trifluoromethyl)-, hydrochloride, hydrate (1:1:2)[amino-[4-(trifluoromethyl)phenyl]methylidene]azanium;chloride;dihydrateSCHEMBL721142SBB102346AKOS015855388FS-4361CS-0206570

データベース識別子

CAS: 175278-62-3
PubChem CID: 44630771
DTXSID: DTXSID50660017
EC Number: 671-957-5

物性

構造計算による物性

極性表面積: 51.9 Å²
水素結合供与体数: 5
水素結合受容体数: 6
回転可能結合数: 1
重原子数: 16
形式電荷: 0
複雑度: 192

物理化学的性質

融点: 158 °C · 158 °C
貯蔵温度: Sealed in dry,Room Temperature
外見: crystalline powder
色: White
CAS データベース: 175278 · 175278-62-3(CAS DataBase Reference)

化学的性質

化学的特性White solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Skin Sens. 1 (50%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)