Basic information
- CAS
98140-03-5- Standard SMILES
CCNc1ncnc(Cl)c1N- InChIKey
CSCQRGAUEMMNAS-UHFFFAOYSA-N- Molecular formula
- C6H9ClN4
- Average molar mass
- 172.61 g/mol
- Monoisotopic mass
- 172.051574
Names & identifiers
- Preferred name
- 6-chloro-4-N-ethylpyrimidine-4,5-diamine
- IUPAC
- 6-chloro-4-N-ethylpyrimidine-4,5-diamine
- English name
- 6-chloro-N4-ethylpyrimidine-4,5-diamine
- Molecular formula
- C6H9ClN4
- Molecular weight
- 172.62
Names & synonyms
98140-03-56-chloro-4-N-ethylpyrimidine-4,5-diamineDTXSID20325767RefChem:307990DTXCID40276883843-960-36-chloro-N4-ethylpyrimidine-4,5-diamineMFCD074401404,5-pyrimidinediamine, 6-chloro-N4-ethyl-6-Chloro-N4-ethyl-pyrimidine-4,5-diamineNSC517784SCHEMBL4060781
Show more names
AKOS A0602-06106-CHLORO-N4-ETHYL-4,5-PYRIMIDINEDIAMINE4,5-diamino-6-chloro-N4-ethylpyrimidine
CSCQRGAUEMMNAS-UHFFFAOYSA-NYDA14003AKOS000320485NSC-517784SB564545-Amino-6-chloro-4-ethylaminopyrimidineAS-65152DA-36221
Database identifiers
- CAS
98140-03-5- PubChem CID
- 351002
- DTXSID
DTXSID20325767- EC Number
- 843-960-3
- Nikkaji
- J1.362.621I
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Melting point
- 142 · 142-144 °C
- Boiling point
- 331.2 · 331.2±42.0 °C(Predicted)
- Density
- 1.369 · 1.369±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.69 · 2.69±0.10(Predicted)
- Appearance
- Off-white to light brown Solid
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 332 · H332-H318-H312-H315-H335-H302
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
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
H302+H312+H332 (96.6%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 29 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H332-H318-H312-H315-H335-H302
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers14 total
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海先诺生物科技有限公司021-50718719 13918719472
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
北京百维联创医药科技有限公司18601958187 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
上海茉馥医药科技有限公司+86-188369842 +86-15618151133 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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