Basic information
- CAS
14208-52-7- Standard SMILES
Nc1cc(-c2ccccc2)ns1- InChIKey
DHGKYVMNSHRALD-UHFFFAOYSA-N- Molecular formula
- C9H8N2S
- Average molar mass
- 176.24 g/mol
- Monoisotopic mass
- 176.04081944
Names & identifiers
- Preferred name
- 3-Phenyl-1,2-thiazol-5-amine
- IUPAC
- 3-phenyl-1,2-thiazol-5-amine
- English name
- 3-Phenylisothiazol-5-amine
- Molecular formula
- C9H8N2S
- Molecular weight
- 176.24
Names & synonyms
14208-52-73-phenyl-1,2-thiazol-5-amineDTXSID40504113RefChem:281670DTXCID00454923829-180-63-phenylisothiazol-5-amine5-Isothiazolamine, 3-phenyl-MFCD07382685SCHEMBL444555DHGKYVMNSHRALD-UHFFFAOYSA-NPAA20852
Show more names
3-Phenyl-isothiazol-5-ylamine
AKOS016011678AS-59312SY192041DB-023460CS-0156347EN300-78761C72650F321054
Database identifiers
- CAS
14208-52-7- PubChem CID
- 12603879
- DTXSID
DTXSID40504113- EC Number
- 829-180-6
- Nikkaji
- J3.475.421G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Melting point
- 163 °C · 163 °C
- Boiling point
- 269.8 · 269.8±38.0 °C(Predicted)
- Density
- 1.261 · 1.261±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 6.88 · 6.88±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 280 · P280
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers26 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
河南赢创生物科技有限公司15672878902 · [email protected]
上海迪凯蒙生物医药科技有限公司15901859516 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
厦门康奥克科技有限公司0086-592-7270133 612 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
上海睿升化工科技有限公司15026594951 · [email protected]
陕西爱施达尔生物科技有限公司18682931470; 18682931470 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
南京克罗托鲁宁医药科技有限公司13382066392
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
上海珂华生物科技有限公司021-58581007 18019463053 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
上海福鲤生物科技有限公司13136210870 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
5 records
Compound notes
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