Basic information
- CAS
544-47-8- Standard SMILES
Cl.N=C(N)SCc1ccc(Cl)cc1- InChIKey
QAVHMIYSTFZJAU-UHFFFAOYSA-N- Molecular formula
- C8H10Cl2N2S
- Average molar mass
- 237.15 g/mol
- Monoisotopic mass
- 235.9941749
Names & identifiers
- Preferred name
- p-Chlorobenzylpseudothiuronium chloride
- IUPAC
- (4-chlorophenyl)methyl carbamimidothioate;hydrochloride
- English name
- S-(4-Chlorobenzyl)isothiouronium chloride
- Molecular formula
- C8H10Cl2N2S
- Molecular weight
- 237.15
Names & synonyms
544-47-8p-Chlorobenzylpseudothiuronium chlorideCarbamimidothioic acid, (4-chlorophenyl)methyl ester, monohydrochloride2-(p-Chlorobenzyl)isothiouronium chloride2-(4-Chlorobenzyl)-2-thiopseudourea hydrochlorideUG8Z59JOWYEINECS 208-871-0Pseudourea, 2-(p-chlorobenzyl)-2-thio-, monohydrochlorideDTXSID0060270NSC 176723NSC-176723S-(P-CHLOROBENZYL)THIOURONIUM CHLORIDE
Show more names
MP265, 10 mM in DMSOQAVHMIYSTFZJAU-UHFFFAOYSA-N4-CHLOROBENZYL CARBAMIMIDOTHIOATE HCLS-(4-CHLOROBENZYL)-THIURONIUM CHLORIDEp-chlorobenzylpseudothiuroniumchlorideS-(4-CHLORBENZYL)-ISOTHIOHARNSTOFF HYDRO2-(4-chlorobenzyl)isothiouronium chlorideS-(4-Chlorobenzyl)isothiouronium chlorideS-(4-Chlorobenzyl)thiuronium chloride,99+%
Carbamimidothioic acid, (4-chlorophenyl)methyl ester, hydrochloride (1:1)2-(p-Chlorobenzyl)-2-thiopseudourea hydrochlorideP-CHLOROBENZYLPSEUDOTHIURONIUM HYDROCHLORIDE [MI]CARBAMIMIDOTHIOIC ACID (4-CHLOROPHENYL)METHYL ESTER HYDROCHLORIDEp-chlorobenzylpseudothiuronium hydrochlorideRefChem:858025DTXCID1041710MP265
Properties
Computed structural properties
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Melting point
- 200 · 200-202°C
- Density
- 1.4757 · 1.4757 (rough estimate)
- refractive index
- 1.63 · 1.6300 (estimate)
- form
- Solid
- color
- White to off-white
- Merck
- 14 · 14,2128
- CAS DataBase Reference
- 544 · 544-47-8
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 Z59JOWY · UG8Z59JOWY
- EPA Substance Registry System
- Carbamimidothioic acid, (4-chlorophenyl)methyl ester, monohydrochloride (544-47-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Safety Statements
- 24 · 24/25
- RTECS
- 950000 · UM0950000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (97.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.4%)
Safety data
- tsca
- TSCA listed
- rtecs
- UM0950000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCarbamimidothioic acid, (4-chlorophenyl)methyl ester, hydrochloride (1:1): INACTIVE
Applications
UsesIdentification of organic acids.
Suppliers30 total
河北凡博医药科技有限公司15588346797 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
河北凡博医药科技有限公司15832170903 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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