Basic information
- CAS
52253-69-7- Standard SMILES
Br.Nc1nc(-c2ccccc2)cs1.O- InChIKey
SBVYKOGRUCDICV-UHFFFAOYSA-N- Molecular formula
- C9H8N2S.BrH.H2O
- Average molar mass
- 275.17 g/mol
- Monoisotopic mass
- 273.97755
Overview
2-amino-4-phenylthiazole hydrobromide monohydrate is a white powder. (NTP, 1992)
Names & identifiers
- Preferred name
- 2-Amino-4-phenylthiazole hydrobromide monohydrate
- IUPAC
- 4-phenyl-1,3-thiazol-2-amine;hydrate;hydrobromide
- English name
- 2-Amino-4-phenylthiazole hydrobromide monohydrate
- Molecular formula
- C9H11BrN2OS
- Molecular weight
- 275.17
Names & synonyms
2-Amino-4-phenylthiazole hydrobromide monohydrateRefChem:46437152253-69-74-Phenylthiazol-2-amine hydrobromide hydrate2-Amino-4-Phenylthiazole Hbr H2o2-Thiazolamine, 4-phenyl-, monohydrobromide, monohydrate4-phenyl-1,3-thiazol-2-amine;hydrate;hydrobromideDTXSID0024503MFCD001500832-Amino-4-phenylthiazole hydrobromide hydrate4-phenyl-1,3-thiazol-2-amine hydrate hydrobromideDTXCID604503
Show more names
2-AMINO-4-PHENYLTHIAZOLE HYDROBROMIDE 1-HYDRATE4-phenylthiazol-2-ylamine hydrobromide monohydrate2-Amino-4-phenylthiazole monohydrate hydrobromide2-Amino-4-phenylthiazole hydrobromide monohydrate 99%2-Amino-4-phenylthiazole hydrobromide monohydrate,99%
SCHEMBL5325472CHEMBL1570415SBVYKOGRUCDICV-UHFFFAOYSA-NTox21_200171AKOS024318955NCGC00091948-01NCGC00091948-02NCGC00091948-03
Properties
Computed structural properties
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 145
Experimental & physicochemical properties
Solubilityless than 1 mg/mL at 72 °F (NTP, 1992)
Melting Point354 to 358 °F (NTP, 1992)
Physical Description2-amino-4-phenylthiazole hydrobromide monohydrate is a white powder. (NTP, 1992)
Physicochemical properties
- Melting point
- 180 · 180-183 °C(lit.)
- form
- powder
- Sensitive
- Hygroscopic
- InChI
- 1S/C9H8N2S.BrH.H2O/c10-9-11-8(6-12-9)7-4-2-1-3-5-7;;/h1-6H,(H2,10,11);1H;1H2
- InChIKey
- SBVYKOGRUCDICV-UHFFFAOYSA-N
- SMILES
- Br[H].[H]O[H].Nc1nc(cs1)-c2ccccc2
- EPA Substance Registry System
- 2 · 2-Amino-4-phenylthiazole hydrobromide monohydrate (52253-69-7)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
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 (100%): 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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile
Acidic salt of an amine. Materials in this group have variable solubility in water. The resulting solutions contain moderate concentrations of hydrogen ions and have pH's of less than 7.0. They react as acids to neutralize bases. These neutralizations generate heat, but less or far less than is generated by neutralization of inorganic acids, inorganic oxoacids, and carboxylic acid. They usually do not react as either oxidizing agents or reducing agents but such behavior is not impossible. Many of these compounds catalyze organic reactions.
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety & protection
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
Chemistry & industry
Applications
General DescriptionWhite powder.
Suppliers22 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
上海拉曼达医药科技有限公司021-19921844 19921844785 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
上海尊理加生命科技有限公司021-34045219 13062664914 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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