Basic information
- CAS
148406-13-7- Standard SMILES
ClCc1cnc(Cl)nc1- InChIKey
MCBBRNCDFILGNO-UHFFFAOYSA-N- Molecular formula
- C5H4Cl2N2
- Average molar mass
- 163 g/mol
- Monoisotopic mass
- 161.97515349
Names & identifiers
- Preferred name
- 2-Chloro-5-(chloromethyl)pyrimidine
- IUPAC
- 2-chloro-5-(chloromethyl)pyrimidine
- English name
- 2-chloro-5-(chloroMethyl)pyriMidine
- Molecular formula
- C5H4Cl2N2
- Molecular weight
- 163
Names & synonyms
2-Chloro-5-(chloromethyl)pyrimidine148406-13-7Pyrimidine, 2-chloro-5-(chloromethyl)-MFCD106970622-chloro-5-chloromethyl-pyrimidineSCHEMBL459457DTXSID20622061AKOS006303883PB13278AC-29256AS-45797BL010347
Show more names
AMY33588SY097SY097289DB-355742CS-0051964EN300-316578F238650
Database identifiers
- CAS
148406-13-7- PubChem CID
- 22052883
- DTXSID
DTXSID20622061
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 81
Physicochemical properties
- Boiling point
- 304.2 · 304.2±17.0 °C(Predicted)
- Density
- 1.41 · 1.410±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- pka
- -2.01 · -2.01±0.22(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
- HS Code
- 2933599590 · 2933599590
Safety & regulation
Safety data
- hs_code
- 2933599590
- Signal word
- warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
Chemistry & industry
Suppliers32 total
Hangzhou Milon Pharmatech Co.,Ltd.+86-18083715844 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Aladdin Scientific[email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
合肥恩立医药科技有限公司0551-66399836 18955197623 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
百益化学（连云港）有限公司18552648286 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
Related reactions
1 records
Compound notes
Loading…