Basic information
- CAS
1780-38-7- Standard SMILES
CCc1c(Cl)nc(Cl)nc1Cl- InChIKey
KMPDRUUXTSYMJD-UHFFFAOYSA-N- Molecular formula
- C6H5Cl3N2
- Average molar mass
- 211.5 g/mol
- Monoisotopic mass
- 209.9518312
Names & identifiers
- Preferred name
- 2,4,6-Trichloro-5-ethylpyrimidine
- IUPAC
- 2,4,6-trichloro-5-ethylpyrimidine
- English name
- Pyrimidine, 2,4,6-trichloro-5-ethyl-
- Molecular formula
- C6H5Cl3N2
- Molecular weight
- 211.48
Names & synonyms
2,4,6-trichloro-5-ethylpyrimidine1780-38-7DTXSID20290289RefChem:82091DTXCID40241435826-345-4Pyrimidine, 2,4,6-trichloro-5-ethyl-MFCD111120972,4,6-Trichloro-5-ethyl-pyrimidineNSC 67799NSC67799SCHEMBL501823
Show more names
CHEMBL1993963SCHEMBL12481167246-Trichloro-5-ethylpyrimidineKMPDRUUXTSYMJD-UHFFFAOYSA-NBAA78038Pyrimidine,4,6-trichloro-5-ethyl-NSC-67799AKOS016011104
Database identifiers
- CAS
1780-38-7- PubChem CID
- 249455
- DTXSID
DTXSID20290289- ChEMBL
CHEMBL1993963- EC Number
- 826-345-4
- Nikkaji
- J1.094.225J
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Melting point
- 75 · 75-77 °C(Solv: ethyl ether (60-29-7); methanol (67-56-1))
- Boiling point
- 244.2 · 244.2±35.0 °C(Predicted)
- Density
- 1.463 · 1.463±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -6.8 · -6.80±0.39(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers31 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
淄博丽硕化工贸易有限公司13853320569 · [email protected]
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]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Related reactions
2 records
Compound notes
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