Basic information
- CAS
64415-11-8- Standard SMILES
CSc1nc(Cl)c(-c2ccccc2)c(Cl)n1- InChIKey
LMTMZMBTPXASSW-UHFFFAOYSA-N- Molecular formula
- C11H8Cl2N2S
- Average molar mass
- 271.2 g/mol
- Monoisotopic mass
- 269.97852462
Names & identifiers
- Preferred name
- 4,6-Dichloro-2-methylthio-5-phenylpyrimidine
- IUPAC
- 4,6-dichloro-2-methylsulfanyl-5-phenylpyrimidine
- English name
- 4,6-Dichloro-2-methylthio-5-phenylpyrimidine
- Molecular formula
- C11H8Cl2N2S
- Molecular weight
- 271.17
Names & synonyms
64415-11-84,6-Dichloro-2-methylthio-5-phenylpyrimidine4,6-dichloro-2-(methylthio)-5-phenylpyrimidineEINECS 264-877-3DTXSID80214668RefChem:507992DTXCID10137159264-877-34,6-dichloro-2-methylsulfanyl-5-phenylpyrimidine4,6-Dichloro-2-(methylsulfanyl)-5-phenylpyrimidinePyrimidine, 4,6-dichloro-2-(methylthio)-5-phenyl-SCHEMBL4844072
Show more names
4,6-Dichloro-2-methylthio-5-phenylpyrimidine 95%4,6-DICHLORO-2-METHYLTHIO-5- PHENYLPYRIMIDINE 95+%
LMTMZMBTPXASSW-UHFFFAOYSA-SB57926WS-03293DB-054657NS000356904,6-Dichloro-2-(methylsulfanyl)-5-phenylpyrimidine #4,6-DICHLORO-2-METHYLTHIO-5-PHENYLPYRIMIDINE, 95%InChI=1/C11H8Cl2N2S/c1-16-11-14-9(12)8(10(13)15-11)7-5-3-2-4-6-7/h2-6H,1H3
Database identifiers
- CAS
64415-11-8- PubChem CID
- 623101
- DTXSID
DTXSID80214668- EC Number
- 264-877-3
- Nikkaji
- J236.477H
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Melting point
- 107 · 107-111 °C(lit.)
- Boiling point
- 364.3 · 364.3±42.0 °C(Predicted)
- Density
- 1.4658 · 1.4658 (rough estimate)
- refractive index
- 1.63 · 1.6300 (estimate)
- pka
- -5.15 · -5.15±0.39(Predicted)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 314 · H314-H335
- Precautionary statements
- 260 · P260-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
- Hazard Codes
- C
- Risk Statements
- 34 · 34-36/37
- Safety Statements
- 26 · 26-27-28-36/37/39-45
- RIDADR
- 3263 · UN 3263 8/PG 2
- WGK Germany
- 3 · 3
- HazardClass
- 8 · 8
- PackingGroup
- III
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, 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 Corr. 1B (100%)
Safety data
- wgk
- 3
- ridadr
- UN 3263 8/PG 2
- risk_code
- 34-36/37
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314-H335
- Precautionary statements
- P260-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Applications
Uses4,6-Dichloro-2-methylthio-5-phenylpyrimidine was used in the synthesis of cinchona alkaloid-derived catalysts.
Suppliers14 total
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [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]
许昌峰飞新材料科技有限公司19713077352; 19713077352 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
安徽宏瀚研新药业有限公司0551-62626652 19334025048 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
7 records
Compound notes
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