Basic information
- CAS
89283-46-5- Standard SMILES
CS(=O)(=O)c1cc(Cl)ncn1- InChIKey
LNJVTFNEAPYZIU-UHFFFAOYSA-N- Molecular formula
- C5H5ClN2O2S
- Average molar mass
- 192.62 g/mol
- Monoisotopic mass
- 191.9760263
Names & identifiers
- Preferred name
- 4-Chloro-6-methanesulfonylpyrimidine
- IUPAC
- 4-chloro-6-methylsulfonylpyrimidine
- English name
- 4-chloro-6-(methylsulfonyl)pyrimidine
- Molecular formula
- C5H5ClN2O2S
- Molecular weight
- 192.62
Names & synonyms
4-CHLORO-6-METHANESULFONYLPYRIMIDINERefChem:521612895-667-54-chloro-6-(methylsulfonyl)pyrimidine89283-46-54-chloro-6-methylsulfonylpyrimidineMFCD14702659NSC79293SCHEMBL9626097DTXSID20291958PDA283464-chloro-6-methylsulfonyl-pyrimidine
Show more names
CCG-40365NSC-79293AKOS0168427214-Chloro-6-(methanesulfonyl)pyrimidineDS-1970MB13961SY111699Pyrimidine, 4-chloro-6-(methylsulfonyl)-
Database identifiers
- CAS
89283-46-5- PubChem CID
- 254751
- DTXSID
DTXSID20291958- EC Number
- 895-667-5
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Boiling point
- 403 · 403.0±45.0 °C(Predicted)
- Density
- 1.486 · 1.486±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- pka
- -6.68 · -6.68±0.17(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Suppliers19 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
天津泛德科技发展有限公司15620920485; 15620920485 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
厦门康奥克科技有限公司0086-592-7270133 612 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
华阴市赛普生物科技有限公司13892502238 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
苏州诺欧曼生物科技有限公司15026866316 · [email protected]
上海丸全化学科技有限公司18721745940 · [email protected]
上海珂华生物科技有限公司021-58581007 18019463053 · [email protected]
上海蓝乐鸟实业有限公司15021845385 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
都创（上海）医药科技股份有限公司021-58099077-8041 18601625411 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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