Basic information
- CAS
89793-29-3- Standard SMILES
Cc1nc2ncnn2c(Cl)c1C- InChIKey
RPHBQCUEWQSJTD-UHFFFAOYSA-N- Molecular formula
- C7H7ClN4
- Average molar mass
- 182.61 g/mol
- Monoisotopic mass
- 182.0359239
Names & identifiers
- Preferred name
- 7-Chloro-5,6-dimethyl-(1,2,4)triazolo(1,5-a)pyrimidine
- IUPAC
- 7-chloro-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
- English name
- 7-Chloro-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
- Molecular formula
- C7H7ClN4
- Molecular weight
- 182.61
Names & synonyms
7-chloro-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine89793-29-37-Chloro-5,6-dimethyl-(1,2,4)triazolo(1,5-a)pyrimidineRefChem:546190838-995-6MFCD08899395SCHEMBL7819692PDA79329AKOS011051271SB74932SY189485EN300-79241
Show more names
G56293F494728F1904-0011Z871785432[1,2,4]Triazolo[1,5-a]pyrimidine, 7-chloro-5,6-dimethyl-
Database identifiers
- CAS
89793-29-3- PubChem CID
- 15516618
- EC Number
- 838-995-6
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Melting point
- 155 °C · 155 °C
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- 0.2 · 0.20±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H302-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H302-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers6 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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