Basic information
- CAS
31169-27-4- Standard SMILES
Clc1ncnc2c(Br)csc12- InChIKey
LJFZDPZIIKOATA-UHFFFAOYSA-N- Molecular formula
- C6H2BrClN2S
- Average molar mass
- 249.52 g/mol
- Monoisotopic mass
- 247.88105884
Names & identifiers
- Preferred name
- 7-Bromo-4-chlorothieno[3,2-d]pyrimidine
- IUPAC
- 7-bromo-4-chlorothieno[3,2-d]pyrimidine
- English name
- 7-Bromo-4-chlorothieno[3,2-d]pyrimidine
- Molecular formula
- C6H2BrClN2S
- Molecular weight
- 249.52
Names & synonyms
7-Bromo-4-chlorothieno[3,2-d]pyrimidine31169-27-4MFCD082739177-Bromo-4-chloro-thieno[3,2-d]pyrimidineSCHEMBL865770OSM-S-448DTXSID40586510AKOS015851195CS-W006804PB32590AC-23701EN300-316600
Show more names
KML-53KML-22CML-0077-Bromo-4-chlorothieno[3,...Thieno[3,2-d]pyrimidine,7-bromo-4-chloro-7-BROMO-4-CHLOROTHIENO[3,2-D]PYRIMIDINE 96%7-bromo-4-chlorothienol [3, 2-d] pyrimidine7-Bromo-4-chloro-1,2-dihydro-thieno[3,2-d]pyrimidine7-BROMO-4-CHLOROTHIENO[3,2-D]PYRIMIDINE ISO 9001：2015 REACH
Z1269196512BCP311734-Chloro-7-bromothieno[3,2-d]pyrimidineA820744SCHEMBL29659357SC2091SY006956DB-027326
Database identifiers
- CAS
31169-27-4- PubChem CID
- 16655266
- DTXSID
DTXSID40586510- Nikkaji
- J2.865.931H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Boiling point
- 345.5 · 345.5±37.0 °C(Predicted)
- Density
- 1.955 · 1.955±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- -0.77 · -0.77±0.40(Predicted)
- Appearance
- Off-white to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- RIDADR
- 2811 · UN2811
- HazardClass
- IRRITANT
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety data
- ridadr
- UN2811
- hs_code
- 2934999090
- risk_code
- 25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T
- safety_code
- 45
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
陕西科贝莱药物研发有限公司13119135307 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Related reactions
24 records
Compound notes
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