Basic information
- CAS
34259-99-9- Standard SMILES
Brc1cscn1- InChIKey
VDTIGYKLTROQAH-UHFFFAOYSA-N- Molecular formula
- C3H2BrNS
- Average molar mass
- 164.03 g/mol
- Monoisotopic mass
- 162.90913216
Names & identifiers
- Preferred name
- 4-Bromothiazole
- IUPAC
- 4-bromo-1,3-thiazole
- English name
- 4-Bromothiazole
- Molecular formula
- C3H2BrNS
- Molecular weight
- 164.02
Names & synonyms
4-Bromothiazole34259-99-9DTXSID60376819RefChem:291152DTXCID20327847627-626-24-bromo-1,3-thiazole4-Bromo-thiazole4-bromo thiazoleThiazole, 4-bromo-MFCD066575924-bromothiazol
Show more names
4-Bromothiazole >4-BroMothiazole 97%4-Bromo-1,3-thiazole 97%
SCHEMBL9290PS-6077B4594EN300-68540BCP273254-Bromothiazole, 97%AM20090525FT-0602276
Database identifiers
- CAS
34259-99-9- PubChem CID
- 2763218
- DTXSID
DTXSID60376819- ChEMBL
CHEMBL5170049- EC Number
- 627-626-2
- Nikkaji
- J465.884A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 50.1
Physicochemical properties
- Boiling point
- 190 °C · 190°C(lit.)
- Density
- 1.839 g/mL · 1.839 g/mL at 25 °C
- refractive index
- 20 · n20/D 1.602
- Flash point
- 102 °C · 102 °C
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- -0.05 · -0.05±0.10(Predicted)
- form
- Solution
- color
- Clear to slightly turbid colorless to yellow-brownish to pink
- λmax
- 247 nm · 247nm(EtOH)(lit.)
- InChI
- InChI=1S/C3H2BrNS/c4-3-1-6-2-5-3/h1-2H
- InChIKey
- VDTIGYKLTROQAH-UHFFFAOYSA-N
- SMILES
- S1C=C(Br)N=C1
- CAS DataBase Reference
- 34259 · 34259-99-9(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,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
Danger
H302 (95.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (95.5%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29341000
- risk_code
- 22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-39
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H319-H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
Chemistry & industry
Applications
Description4-Bromothiazole is a chemical intermediate used in the pharmaceutical and agrochemical industries. It is commonly used as a starting material for the synthesis of various heterocyclic compounds, such as thiazoles, which have diverse applications in medicinal chemistry. This product should be handled with care due to its toxic nature. It should be stored in a cool, dry place away from incompatible materials such as oxidizing agents or strong bases.
Uses4-Bromothiazole is an important pharmaceutical intermediate widely used in the construction of various thiazole heterocyclic compounds, and is commonly applied in new drug development, fine chemicals and other fields.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司
Related reactions
29 records
Compound notes
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