Basic information
- CAS
156-83-2- Standard SMILES
Nc1cc(Cl)nc(N)n1- InChIKey
QJIUMVUZDYPQRT-UHFFFAOYSA-N- Molecular formula
- C4H5ClN4
- Average molar mass
- 144.56 g/mol
- Monoisotopic mass
- 144.0202739
Names & identifiers
- Preferred name
- 2,4-Diamino-6-chloropyrimidine
- IUPAC
- 6-chloropyrimidine-2,4-diamine
- English name
- 4-Chloro-2,6-diaminopyrimidine
- Molecular formula
- C4H5ClN4
- Molecular weight
- 144.56
Names & synonyms
156-83-24-Chloro-2,6-diaminopyrimidine2,4-Diamino-6-chloropyrimidine2,6-Diamino-4-chloropyrimidine83NU5F7ZASNSC-8818DTXSID30166022NSC 8818Pyrimidine, 6-chloro-2,4-diamino-RefChem:82261DTXCID8088513205-863-9
Show more names
JACS-156-83-2TIMTEC-BB SBB0041234-Chloro-2,6-diaminoDiaMino-6-chloropyriMidMinoxidil EP Impurity 3oro-2,6-diaminopyrimidine
QJIUMVUZDYPQRT-UHFFFAOYSA-N6-Chloropyrimidine-2,4-diamine6-Chloro-pyrimidine-2,4-diamineMinoxidil EP Impurity B6-Chloro-2,4-diaminopyrimidine2,4-Pyrimidinediamine, 6-chloro-Minoxidil impurity 2MFCD00006097
Database identifiers
- CAS
156-83-2- PubChem CID
- 67432
- DTXSID
DTXSID30166022- ChEMBL
CHEMBL4517551- ChEBI
CHEBI:137231- UNII
- 83NU5F7ZAS
- EC Number
- 205-863-9
- Nikkaji
- J106.036H
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 98
Physicochemical properties
- Melting point
- 199 · 199-202 °C(lit.)
- Boiling point
- 199 · 199-202 °C
- Density
- 1.3966 · 1.3966 (rough estimate)
- vapor pressure
- 0 · 0.0±1.1 mmHg at 25°C
- refractive index
- 1.702 · 1.702
- Flash point
- 218.9 · 218.9±29.6 °C
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- slightly soluble
- pka
- 3.66 · 3.66±0.10(Predicted)
- form
- Solid
- color
- White to Pale Yellow
- Water Solubility
- slightly soluble
- BRN
- 118455 · 118455
- InChI
- InChI=1S/C4H5ClN4/c5-2-1-3(6)9-4(7)8-2/h1H,(H4,6,7,8,9)
- InChIKey
- QJIUMVUZDYPQRT-UHFFFAOYSA-N
- SMILES
- C1(N)=NC(Cl)=CC(N)=N1
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 1.7% (1 of 60) of reports.
Warning
H302 (85%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (86.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (86.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (85%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 60 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 60 reports by companies.；There are 14 notifications provided by 59 of 60 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Status: Active Update: 02-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/17265
2,4-Diamino-6-chloropyrimidine: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (85%)；Skin Irrit. 2 (86.7%)；Eye Irrit. 2 (86.7%)；STOT SE 3 (85%)
Regulatory information
Regulatory Information
Chemistry & industry
Applications
UsesMelamine and Related Compounds in Dog Food Using GC-MS
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
Related reactions
120 records
Compound notes
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