Benzylisothiourea hydrochloride
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Benzylisothiourea hydrochloride
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CAS No:
538-28-3
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Formula:
C8H10N2S.ClH
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Chemical Name:
Benzylisothiourea hydrochloride
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Synonyms:
Carbamimidothioic acid,phenylmethyl ester,hydrochloride (1:1);Pseudourea,2-benzyl-2-thio-,monohydrochloride;Carbamimidothioic acid,phenylmethyl ester,monohydrochloride;Pseudourea,2-benzyl-2-thio-,hydrochloride;Benzylisothiourea hydrochloride;Benzylisothiuronium chloride;S-Benzylthiuronium chloride;BTKh;Benzylisothiouronium chloride;S-Benzylthiouronium chloride;S-Benzylisothiuronium chloride;S-Benzylisothiourea hydrochloride;S-Benzylthiopseudourea hydrochloride;S-Benzylthioformamidine hydrochloride;S-Benzylthiourea hydrochloride;S-Benzylisothiouronium hydrochloride;S-Benzylisothiouronium chloride;U 19451A;2-Benzyl-2-thiopseudourea hydrochloride;Benzituron;Benzyl carbamimidothioate hydrochloride;(Benzylsulfanyl)methanimidamide hydrochloride;(Benzylsulfanyl)(imino)methanaminium chloride;860511-29-1
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CAS No:
Benzylisothiourea hydrochloride Basic Attributes
202.7
202.033142
3656719
208-688-6
QJ9N8049ND
179799|8057|3206
DTXSID0060222
29309070
Characteristics
75.2
173 °C
283.2°C at 760 mmHg
125.1ºC
H2O: 250 g/L (15 ºC);methanol: soluble 1g/10 mL, clear, colorless to very faintly yellow
Oral-rat LD50: 150 mg/kg; Subcutaneous-mouse LDL0: 80 mg/kg
Flammable; burning produces toxic nitrogen oxides, sulfur oxides and hydrogen chloride fumes
Safety Information
Ⅱ
6.1
UN 2811 6.1/PG 2
3
25
36/37/39-45-28A
UM0738000
T
Ventilated, low temperature and dry; stored separately from food materials in warehouse
P264-P301 + P310
H300
|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 45 companies from 2 notifications to the ECHA C&L Inventory.
Benzylisothiourea hydrochloride Use and Manufacturing
Derived from the condensation of benzyl chloride and thiourea. Chlorobenzyl, thiourea and ethanol are added to the reactor and mixed, heated to reflux, after the reaction is decolorized and filtered, cooled and crystallized, then washed with ether and refined to obtain the finished product.
Reagent for cobalt and nickel; identification and separation of carboxylic, sulfinic, and sulfonic acid.
Carbamimidothioic acid, phenylmethyl ester, hydrochloride (1:1): ACTIVE
Computed Properties
Molecular Weight:202.71
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:202.0331472
Monoisotopic Mass:202.0331472
Topological Polar Surface Area:75.2
Heavy Atom Count:12
Complexity:130
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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